Chem
J-GLOBAL ID:200907001115260452
Nikkaji number:J2.543.868J
2-[1-[3,5-Bis[1-(dicyanomethylene)-2-[4-(dicyanomethylene)-2,5-cyclohexadienylidene]-2-[4-(dihexylamino)phenyl]ethyl]phenyl]-2-[4-(dihexylamino)phenyl]-2-[4-(dicyanomethylene)-2,5-cyclohexadienylidene]ethylidene]malononitrile
2-[1-[3,5-ビス[1-(ジシアノメチレン)-2-[4-(ジシアノメチレン)-2,5-シクロヘキサジエニリデン]-2-[4-(ジヘキシルアミノ)フェニル]エチル]フェニル]-2-[4-(ジヘキシルアミノ)フェニル]-2-[4-(ジシアノメチレン)-2,5-シクロヘキサジエニリデン]エチリデン]マロノニトリル
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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:
C102 H105 N15
Molecular formula furigana:
C102-H105-N15
Molecular weight:
1541.067
InChI:
InChI=1S/C102H105N15/c1-7-13-19-25-55-115(56-26-20-14-8-2)94-49-43-82(44-50-94)97(79-37-31-76(32-38-79)88(64-103)65-104)100(91(70-109)71-110)85-61-86(101(92(72-111)73-112)98(80-39-33-77(34-40-80)89(66-105)67-106)83-45-51-95(52-46-83)116(57-27-21-15-9-3)58-28-22-16-10-4)63-87(62-85)102(93(74-113)75-114)99(81-41-35-78(36-42-81)90(68-107)69-108)84-47-53-96(54-48-84)117(59-29-23-17-11-5)60-30-24-18-12-6/h31-54,61-63H,7-30,55-60H2,1-6H3
InChI key:
BSSQUZJZJOKGHS-UHFFFAOYSA-N
SMILES:
CCCCCCN(CCCCCC)c1ccc(cc1)C(=c1ccc(=C(C#N)C#N)cc1)C(=C(C#N)C#N)c1cc(cc(c1)C(=C(C#N)C#N)C(=c1ccc(=C(C#N)C#N)cc1)c1ccc(cc1)N(CCCCCC)CCCCCC)C(=C(C#N)C#N)C(=c1ccc(=C(C#N)C#N)cc1)c1ccc(cc1)N(CCCCCC)CCCCCC
Systematic name (3):
2-[1-[3,5-ビス[1-(ジシアノメチレン)-2-[4-(ジシアノメチレン)-2,5-シクロヘキサジエニリデン]-2-[4-(ジヘキシルアミノ)フェニル]エチル]フェニル]-2-[4-(ジヘキシルアミノ)フェニル]-2-[4-(ジシアノメチレン)-2,5-シクロヘキサジエニリデン]エチリデン]マロノニトリル
2-{1-[3,5-ビス({1,1-ジシアノ-3-[4-(ジシアノメチリデン)シクロヘキサ-2,5-ジエン-1-イリデン]-3-[4-(ジヘキシルアミノ)フェニル]プロパ-1-エン-2-イル})フェニル]-2-[4-(ジシアノメチリデン)シクロヘキサ-2,5-ジエン-1-イリデン]-2-[4-(ジヘキシルアミノ)フェニル]エチリデン}プロパンジニトリル
2-{1-[3,5-bis({1,1-dicyano-3-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]-3-[4-(dihexylamino)phenyl]prop-1-en-2-yl})phenyl]-2-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]-2-[4-(dihexylamino)phenyl]ethylidene}propanedinitrile
Other name (1):
2-[1-[3,5-Bis[1-(dicyanomethylene)-2-[4-(dicyanomethylene)-2,5-cyclohexadienylidene]-2-[4-(dihexylamino)phenyl]ethyl]phenyl]-2-[4-(dihexylamino)phenyl]-2-[4-(dicyanomethylene)-2,5-cyclohexadienylidene]ethylidene]malononitrile
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