Chem
J-GLOBAL ID:201507051653568860
Nikkaji number:J3.360.510B
17,23-Bis(4-benzylphenyl)[11,11′-[methylenebis(1,4-phenylene)][5,5′-[methylenebis(1,4-phenylene)]bis[pentacyclo[19.3.1.13,7 .19,13 .115,19 ]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene]]]
17,23-ビス(4-ベンジルフェニル)[11,11′-[メチレンビス(1,4-フェニレン)][5,5′-[メチレンビス(1,4-フェニレン)]ビス[ペンタシクロ[19.3.1.13,7 .19,13 .115,19 ]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン]]]
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C108 H84
Molecular formula furigana:
C108-H84
Molecular weight:
1381.860
InChI:
InChI=1S/C108H84/c1-3-9-73(10-4-1)41-75-17-29-99(30-18-75)105-65-89-53-90-55-92(68-106(66-90)100-31-19-76(20-32-100)42-74-11-5-2-6-12-74)57-94-59-96-60-95-58-93(56-91(54-89)67-105)69-107(71-95)101-37-25-79(26-38-101)43-77-21-33-97(34-22-77)103-61-85-48-83-15-7-13-81(46-83)45-82-14-8-16-84(47-82)49-86-51-88(52-87(50-85)63-103)64-104(62-86)98-35-23-78(24-36-98)44-80-27-39-102(40-28-80)108(70-94)72-96/h1-40,46-47,50-51,54-55,58-59,61-72H,41-45,48-49,52-53,56-57,60H2
InChI key:
AJLJBSMLRGZFPD-UHFFFAOYSA-N
SMILES:
C(c1ccccc1)c1ccc(cc1)c1cc2Cc3cc(Cc4cc5Cc6cc(Cc(c2)c1)cc(c6)c1ccc(Cc2ccc(cc2)c2cc6Cc7cccc(Cc8cccc(Cc9cc(Cc(c6)c2)cc(c9)c2ccc(Cc6ccc(cc6)c(c4)c5)cc2)c8)c7)cc1)cc(c3)c1ccc(Cc2ccccc2)cc1
Systematic name (3):
17,23-ビス(4-ベンジルフェニル)[11,11′-[メチレンビス(1,4-フェニレン)][5,5′-[メチレンビス(1,4-フェニレン)]ビス[ペンタシクロ[19.3.1.13,7 .19,13 .115,19 ]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン]]]
10,16-ビス(4-ベンジルフェニル)ペンタデカシクロ[60.2.2.225,28 .230,33 .257,60 .12,6 .14,22 .18,12 .114,18 .120,24 .134,38 .136,54 .140,44 .146,50 .152,56 ]ドオクタコンタ-1(64),2,4,6(82),8,10,12(81),14(80),15,17,20,22,24(78),25,27,30,32,34(73),35,37,40(72),41,43,46(71),47,49,52,54,56(69),57,59,62,65,67,74,76-ヘキサトリアコンタエン
10,16-bis(4-benzylphenyl)pentadecacyclo[60.2.2.225,28 .230,33 .257,60 .12,6 .14,22 .18,12 .114,18 .120,24 .134,38 .136,54 .140,44 .146,50 .152,56 ]dooctaconta-1(64),2,4,6(82),8,10,12(81),14(80),15,17,20,22,24(78),25,27,30,32,34(73),35,37,40(72),41,43,46(71),47,49,52,54,56(69),57,59,62,65,67,74,76-hexatriacontaene
Other name (1):
17,23-Bis(4-benzylphenyl)[11,11′-[methylenebis(1,4-phenylene)][5,5′-[methylenebis(1,4-phenylene)]bis[pentacyclo[19.3.1.13,7 .19,13 .115,19 ]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene]]]
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