Chem
J-GLOBAL ID:200907063428824670
Nikkaji number:J337.035F
1,4-Dihydro-5-(3-methoxyphenyl)-6,11,12-triphenyl-1,4-ethanonaphthacene
1,4-ジヒドロ-5-(3-メトキシフェニル)-6,11,12-トリフェニル-1,4-エタノナフタセン
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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:
C45 H34 O
Molecular formula furigana:
C45-H34-O
Molecular weight:
590.766
InChI:
InChI=1S/C45H34O/c1-46-35-21-13-20-34(28-35)43-41-33-26-24-32(25-27-33)40(41)42(31-18-9-4-10-19-31)44-38(29-14-5-2-6-15-29)36-22-11-12-23-37(36)39(45(43)44)30-16-7-3-8-17-30/h2-24,26,28,32-33H,25,27H2,1H3
InChI key:
MDAASGOBHFTIEW-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)c1c2C3CCC(C=C3)c2c(c2ccccc2)c2c(c3ccccc3)c3ccccc3c(c3ccccc3)c12
Systematic name (3):
1,4-ジヒドロ-5-(3-メトキシフェニル)-6,11,12-トリフェニル-1,4-エタノナフタセン
3-(3-メトキシフェニル)-5,12,14-トリフェニルペンタシクロ[14.2.2.02,15 .04,13 .06,11 ]イコサ-2(15),3,5,7,9,11,13,17-オクタエン
3-(3-methoxyphenyl)-5,12,14-triphenylpentacyclo[14.2.2.02,15 .04,13 .06,11 ]icosa-2(15),3,5,7,9,11,13,17-octaene
Other name (1):
1,4-Dihydro-5-(3-methoxyphenyl)-6,11,12-triphenyl-1,4-ethanonaphthacene
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