Chem
J-GLOBAL ID:201707006863568812
Nikkaji number:J3.666.852K
2,8,14-Tris(2,6-dimethylphenyl)-18d,18f,18h-triaza-18e,18g,18i-tribora-18d,18e,18f,18g,18h,18i-hexahydrohexabenzo[bc,ef,hi,kl,no,qr]coronene
2,8,14-トリス(2,6-ジメチルフェニル)-18d,18f,18h-トリアザ-18e,18g,18i-トリボラ-18d,18e,18f,18g,18h,18i-ヘキサヒドロヘキサベンゾ[bc,ef,hi,kl,no,qr]コロネン
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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:
C60 H42 B3 N3
Molecular formula furigana:
C60-H42-B3-N3
Molecular weight:
837.450
InChI:
InChI=1S/C60H42B3N3/c1-31-13-7-14-32(2)52(31)37-25-46-40-19-10-21-42-48-27-38(53-33(3)15-8-16-34(53)4)29-50-44-23-12-24-45-51-30-39(54-35(5)17-9-18-36(54)6)28-49-43-22-11-20-41-47(26-37)58(46)64-61(55(40)42)65(59(48)50)63(57(44)45)66(60(49)51)62(64)56(41)43/h7-30H,1-6H3
InChI key:
JUZXJVGRKZEERT-UHFFFAOYSA-N
SMILES:
Cc1cccc(C)c1c1cc2c3cccc4c5cc(cc6c7cccc8c9cc(cc%10c%11cccc%12c(c1)c2N1B(N(B(N(B1c%11%12)c9%10)c78)c56)c34)c1c(C)cccc1C)c1c(C)cccc1C
Systematic name (3):
2,8,14-トリス(2,6-ジメチルフェニル)-18d,18f,18h-トリアザ-18e,18g,18i-トリボラ-18d,18e,18f,18g,18h,18i-ヘキサヒドロヘキサベンゾ[bc,ef,hi,kl,no,qr]コロネン
11,25,39-トリス(2,6-ジメチルフェニル)-1,15,29-トリアザ-2,16,30-トリボラトリデカシクロ[28.12.0.02,15 .03,8 .04,41 .09,14 .013,18 .016,29 .017,22 .023,28 .027,32 .031,36 .037,42 ]ドテトラコンタ-3,5,7,9(14),10,12,17,19,21,23(28),24,26,31,33,35,37(42),38,40-オクタデカエン
11,25,39-tris(2,6-dimethylphenyl)-1,15,29-triaza-2,16,30-triboratridecacyclo[28.12.0.02,15 .03,8 .04,41 .09,14 .013,18 .016,29 .017,22 .023,28 .027,32 .031,36 .037,42 ]dotetraconta-3,5,7,9(14),10,12,17,19,21,23(28),24,26,31,33,35,37(42),38,40-octadecaene
Other name (1):
2,8,14-Tris(2,6-dimethylphenyl)-18d,18f,18h-triaza-18e,18g,18i-tribora-18d,18e,18f,18g,18h,18i-hexahydrohexabenzo[bc,ef,hi,kl,no,qr]coronene
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