2-[11-cyclohexa-1,5-dien-1-yl-1-(N-phenylanilino)indolo[3,2-b]carbazol-5-yl]-5-[11-phenyl-1-(N-phenylanilino)indolo[3,2-b]carbazol-5-yl]benzene-1,4-dicarbonitrile

C80H52N8 — CID 155237492

IUPAC2-[11-cyclohexa-1,5-dien-1-yl-1-(N-phenylanilino)indolo[3,2-b]carbazol-5-yl]-5-[11-phenyl-1-(N-phenylanilino)indolo[3,2-b]carbazol-5-yl]benzene-1,4-dicarbonitrile
SMILESN#Cc1cc(-n2c3cc4c5ccccc5n(-c5ccccc5)c4cc3c3c(N(c4ccccc4)c4ccccc4)cccc32)c(C#N)cc1-n1c2cc3c4ccccc4n(C4=CCCC=C4)c3cc2c2c(N(c3ccccc3)c3ccccc3)cccc21
InChIInChI=1S/C80H52N8/c81-51-53-46-74(88-72-44-24-42-70(84(57-29-11-3-12-30-57)58-31-13-4-14-32-58)80(72)66-50-76-64(48-78(66)88)62-38-20-22-40-68(62)86(76)60-35-17-6-18-36-60)54(52-82)45-73(53)87-71-43-23-41-69(83(55-25-7-1-8-26-55)56-27-9-2-10-28-56)79(71)65-49-75-63(47-77(65)87)61-37-19-21-39-67(61)85(75)59-33-15-5-16-34-59/h1-5,7-17,19-50H,6,18H2
InChIKeyWJXHOTBYZGGVEY-UHFFFAOYSA-N
MW1125.35 g/mol
LogP20.96
Rot. Bonds10

About 2-[11-cyclohexa-1,5-dien-1-yl-1-(N-phenylanilino)indolo[3,2-b]carbazol-5-yl]-5-[11-phenyl-1-(N-phenylanilino)indolo[3,2-b]carbazol-5-yl]benzene-1,4-dicarbonitrile

2-[11-cyclohexa-1,5-dien-1-yl-1-(N-phenylanilino)indolo[3,2-b]carbazol-5-yl]-5-[11-phenyl-1-(N-phenylanilino)indolo[3,2-b]carbazol-5-yl]benzene-1,4-dicarbonitrile (PubChem CID 155237492) has the molecular formula C80H52N8 and a molecular weight of 1125.35 g/mol. Its IUPAC name is 2-[11-cyclohexa-1,5-dien-1-yl-1-(N-phenylanilino)indolo[3,2-b]carbazol-5-yl]-5-[11-phenyl-1-(N-phenylanilino)indolo[3,2-b]carbazol-5-yl]benzene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2-[11-cyclohexa-1,5-dien-1-yl-1-(N-phenylanilino)indolo[3,2-b]carbazol-5-yl]-5-[11-phenyl-1-(N-phenylanilino)indolo[3,2-b]carbazol-5-yl]benzene-1,4-dicarbonitrile
PubChem CID155237492
Molecular FormulaC80H52N8
Molecular Weight1125.35 g/mol
Exact Mass1124.43
IUPAC Name2-[11-cyclohexa-1,5-dien-1-yl-1-(N-phenylanilino)indolo[3,2-b]carbazol-5-yl]-5-[11-phenyl-1-(N-phenylanilino)indolo[3,2-b]carbazol-5-yl]benzene-1,4-dicarbonitrile
SMILESN#Cc1cc(-n2c3cc4c5ccccc5n(-c5ccccc5)c4cc3c3c(N(c4ccccc4)c4ccccc4)cccc32)c(C#N)cc1-n1c2cc3c4ccccc4n(C4=CCCC=C4)c3cc2c2c(N(c3ccccc3)c3ccccc3)cccc21
InChIInChI=1S/C80H52N8/c81-51-53-46-74(88-72-44-24-42-70(84(57-29-11-3-12-30-57)58-31-13-4-14-32-58)80(72)66-50-76-64(48-78(66)88)62-38-20-22-40-68(62)86(76)60-35-17-6-18-36-60)54(52-82)45-73(53)87-71-43-23-41-69(83(55-25-7-1-8-26-55)56-27-9-2-10-28-56)79(71)65-49-75-63(47-77(65)87)61-37-19-21-39-67(61)85(75)59-33-15-5-16-34-59/h1-5,7-17,19-50H,6,18H2
InChIKeyWJXHOTBYZGGVEY-UHFFFAOYSA-N
XLogP20.96
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001125.35
LogP ≤ 520.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[11-cyclohexa-1,5-dien-1-yl-1-(N-phenylanilino)indolo[3,2-b]carbazol-5-yl]-5-[11-phenyl-1-(N-phenylanilino)indolo[3,2-b]carbazol-5-yl]benzene-1,4-dicarbonitrile with MolForge

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Related Compounds

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CID 134369862
3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
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CID 155112233
2-[9-[9-[5-[4-(3-carbazol-9-yl-7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2,5-dicyanophenyl]-7,7-dimethylindeno[2,1-b]carbazol-3-yl]carbazol-4-yl]-7,7-dimethyl-1-(N-phenylanilino)indeno[2,1-b]carbazol-5-yl]-5-[7,7-dimethyl-1-(N-phenylanilino)indeno[2,1-b]carbazol-5-yl]benzene-1,4-dicarbonitrile
CID 155451089
6-cyclohexa-1,5-dien-1-yl-N-dibenzothiophen-2-yl-N,9-diphenylcarbazol-4-amine
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3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-6-(9-phenylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole
CID 166723458
3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 123699580
2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,4-dicarbonitrile
CID 121328730
2-(1,2-dihydrobenzo[c]carbazol-7-yl)-5-(11-phenyl-7,8-dihydroindolo[3,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile
CID 155417171
N-(4-carbazol-9-ylphenyl)-9-[4-(N-(4-carbazol-9-ylphenyl)anilino)cyclohexa-1,5-dien-1-yl]-N-phenylcarbazol-4-amine
CID 126727435
N-cyclohexa-1,5-dien-1-yl-4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-10-yl)-N-phenylaniline
CID 170265538
2-carbazol-9-yl-5-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
CID 122414458

Frequently Asked Questions

What is the IUPAC name of 2-[11-cyclohexa-1,5-dien-1-yl-1-(N-phenylanilino)indolo[3,2-b]carbazol-5-yl]-5-[11-phenyl-1-(N-phenylanilino)indolo[3,2-b]carbazol-5-yl]benzene-1,4-dicarbonitrile?
The IUPAC name of 2-[11-cyclohexa-1,5-dien-1-yl-1-(N-phenylanilino)indolo[3,2-b]carbazol-5-yl]-5-[11-phenyl-1-(N-phenylanilino)indolo[3,2-b]carbazol-5-yl]benzene-1,4-dicarbonitrile (CID 155237492) is 2-[11-cyclohexa-1,5-dien-1-yl-1-(N-phenylanilino)indolo[3,2-b]carbazol-5-yl]-5-[11-phenyl-1-(N-phenylanilino)indolo[3,2-b]carbazol-5-yl]benzene-1,4-dicarbonitrile.
What is the SMILES notation for 2-[11-cyclohexa-1,5-dien-1-yl-1-(N-phenylanilino)indolo[3,2-b]carbazol-5-yl]-5-[11-phenyl-1-(N-phenylanilino)indolo[3,2-b]carbazol-5-yl]benzene-1,4-dicarbonitrile?
The canonical SMILES for 2-[11-cyclohexa-1,5-dien-1-yl-1-(N-phenylanilino)indolo[3,2-b]carbazol-5-yl]-5-[11-phenyl-1-(N-phenylanilino)indolo[3,2-b]carbazol-5-yl]benzene-1,4-dicarbonitrile is N#Cc1cc(-n2c3cc4c5ccccc5n(-c5ccccc5)c4cc3c3c(N(c4ccccc4)c4ccccc4)cccc32)c(C#N)cc1-n1c2cc3c4ccccc4n(C4=CCCC=C4)c3cc2c2c(N(c3ccccc3)c3ccccc3)cccc21.
What is the InChIKey of 2-[11-cyclohexa-1,5-dien-1-yl-1-(N-phenylanilino)indolo[3,2-b]carbazol-5-yl]-5-[11-phenyl-1-(N-phenylanilino)indolo[3,2-b]carbazol-5-yl]benzene-1,4-dicarbonitrile?
The InChIKey is WJXHOTBYZGGVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H52N8/c81-51-53-46-74(88-72-44-24-42-70(84(57-29-11-3-12-30-57)58-31-13-4-14-32-58)80(72)66-50-76-64(48-78(66)88)62-38-20-22-40-68(62)86(76)60-35-17-6-18-36-60)54(52-82)45-73(53)87-71-43-23-41-69(83(55-25-7-1-8-26-55)56-27-9-2-10-28-56)79(71)65-49-75-63(47-77(65)87)61-37-19-21-39-67(61)85(75)59-33-15-5-16-34-59/h1-5,7-17,19-50H,6,18H2.
What are the key properties of 2-[11-cyclohexa-1,5-dien-1-yl-1-(N-phenylanilino)indolo[3,2-b]carbazol-5-yl]-5-[11-phenyl-1-(N-phenylanilino)indolo[3,2-b]carbazol-5-yl]benzene-1,4-dicarbonitrile?
2-[11-cyclohexa-1,5-dien-1-yl-1-(N-phenylanilino)indolo[3,2-b]carbazol-5-yl]-5-[11-phenyl-1-(N-phenylanilino)indolo[3,2-b]carbazol-5-yl]benzene-1,4-dicarbonitrile has a molecular weight of 1125.35 g/mol, XLogP of 20.96, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[11-cyclohexa-1,5-dien-1-yl-1-(N-phenylanilino)indolo[3,2-b]carbazol-5-yl]-5-[11-phenyl-1-(N-phenylanilino)indolo[3,2-b]carbazol-5-yl]benzene-1,4-dicarbonitrile is sourced from PubChem (CID 155237492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).