2-[5-[[11-[2-cyano-5-(3-cyanophenyl)-4-(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]-12-methylindolo[2,3-a]carbazol-4-yl]methyl]indolo[3,2-c]carbazol-12-yl]-4-(3-cyanophenyl)-5-(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile

C104H62N12 — CID 155377911

IUPAC2-[5-[[11-[2-cyano-5-(3-cyanophenyl)-4-(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]-12-methylindolo[2,3-a]carbazol-4-yl]methyl]indolo[3,2-c]carbazol-12-yl]-4-(3-cyanophenyl)-5-(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile
SMILESCn1c2ccccc2c2c1ccc1c3ccccc3n(-c3cc(C#N)c(-n4c5ccccc5c5ccc6c(c7ccccc7n6Cc6cccc7c6c6ccc8c9ccccc9n(-c9cc(-c%10cccc(C#N)c%10)c(-n%10c%11ccccc%11c%11ccc%12c%13ccccc%13n(C)c%12c%11%10)cc9C#N)c8c6n7C)c54)cc3-c3cccc(C#N)c3)c12
InChIInChI=1S/C104H62N12/c1-109-83-34-12-9-31-77(83)97-90(109)47-45-72-69-28-6-16-38-87(69)115(99(72)97)94-51-65(57-107)92(53-80(94)62-23-18-21-60(49-62)55-105)113-85-36-14-5-27-68(85)73-46-48-91-98(100(73)113)78-32-10-13-35-84(78)112(91)59-64-25-20-40-89-96(64)79-44-43-76-70-29-7-15-37-86(70)114(104(76)102(79)111(89)3)93-54-81(63-24-19-22-61(50-63)56-106)95(52-66(93)58-108)116-88-39-17-8-30-71(88)75-42-41-74-67-26-4-11-33-82(67)110(2)101(74)103(75)116/h4-54H,59H2,1-3H3
InChIKeyROTCGFZONDYRFQ-UHFFFAOYSA-N
MW1479.72 g/mol
LogP24.99
Rot. Bonds8

About 2-[5-[[11-[2-cyano-5-(3-cyanophenyl)-4-(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]-12-methylindolo[2,3-a]carbazol-4-yl]methyl]indolo[3,2-c]carbazol-12-yl]-4-(3-cyanophenyl)-5-(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile

2-[5-[[11-[2-cyano-5-(3-cyanophenyl)-4-(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]-12-methylindolo[2,3-a]carbazol-4-yl]methyl]indolo[3,2-c]carbazol-12-yl]-4-(3-cyanophenyl)-5-(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile (PubChem CID 155377911) has the molecular formula C104H62N12 and a molecular weight of 1479.72 g/mol. Its IUPAC name is 2-[5-[[11-[2-cyano-5-(3-cyanophenyl)-4-(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]-12-methylindolo[2,3-a]carbazol-4-yl]methyl]indolo[3,2-c]carbazol-12-yl]-4-(3-cyanophenyl)-5-(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile.

Molecular Properties

Compound Name2-[5-[[11-[2-cyano-5-(3-cyanophenyl)-4-(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]-12-methylindolo[2,3-a]carbazol-4-yl]methyl]indolo[3,2-c]carbazol-12-yl]-4-(3-cyanophenyl)-5-(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile
PubChem CID155377911
Molecular FormulaC104H62N12
Molecular Weight1479.72 g/mol
Exact Mass1478.52
IUPAC Name2-[5-[[11-[2-cyano-5-(3-cyanophenyl)-4-(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]-12-methylindolo[2,3-a]carbazol-4-yl]methyl]indolo[3,2-c]carbazol-12-yl]-4-(3-cyanophenyl)-5-(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile
SMILESCn1c2ccccc2c2c1ccc1c3ccccc3n(-c3cc(C#N)c(-n4c5ccccc5c5ccc6c(c7ccccc7n6Cc6cccc7c6c6ccc8c9ccccc9n(-c9cc(-c%10cccc(C#N)c%10)c(-n%10c%11ccccc%11c%11ccc%12c%13ccccc%13n(C)c%12c%11%10)cc9C#N)c8c6n7C)c54)cc3-c3cccc(C#N)c3)c12
InChIInChI=1S/C104H62N12/c1-109-83-34-12-9-31-77(83)97-90(109)47-45-72-69-28-6-16-38-87(69)115(99(72)97)94-51-65(57-107)92(53-80(94)62-23-18-21-60(49-62)55-105)113-85-36-14-5-27-68(85)73-46-48-91-98(100(73)113)78-32-10-13-35-84(78)112(91)59-64-25-20-40-89-96(64)79-44-43-76-70-29-7-15-37-86(70)114(104(76)102(79)111(89)3)93-54-81(63-24-19-22-61(50-63)56-106)95(52-66(93)58-108)116-88-39-17-8-30-71(88)75-42-41-74-67-26-4-11-33-82(67)110(2)101(74)103(75)116/h4-54H,59H2,1-3H3
InChIKeyROTCGFZONDYRFQ-UHFFFAOYSA-N
XLogP24.99
TPSA134.60 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001479.72
LogP ≤ 524.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[5-[[11-[2-cyano-5-(3-cyanophenyl)-4-(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]-12-methylindolo[2,3-a]carbazol-4-yl]methyl]indolo[3,2-c]carbazol-12-yl]-4-(3-cyanophenyl)-5-(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile with MolForge

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Related Compounds

4-(3-cyanophenyl)-3,5-bis(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 142465728
9-[2-cyano-4-(3-cyanocarbazol-9-yl)-5-(3-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 155377727
4-(3-cyano-5-methylphenyl)-2,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)benzonitrile
CID 159036284
2-[5-[[11-[2-cyano-4-(11-methylindolo[2,3-a]carbazol-12-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]-12-methylindolo[2,3-a]carbazol-3-yl]methyl]-1,2-dihydroindolo[3,2-c]carbazol-12-yl]-5-(5-methylindolo[3,2-c]carbazol-12-yl)-4-[3-(trifluoromethyl)phenyl]benzonitrile
CID 162611024
12-ethyl-5-[(9-methylcarbazol-4-yl)methyl]indolo[3,2-c]carbazole
CID 134168521
4-[4-[4-(3-cyanophenyl)-3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 170664969
4-(3-cyanophenyl)-2,5-bis[3-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile
CID 155377735
9-[2-cyano-5-(3-cyanophenyl)-4-(3-isocyanocarbazol-9-yl)phenyl]carbazole-3-carbonitrile
CID 155646735
4-(3-cyanophenyl)-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 146237826
5-[4-cyano-3,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]benzene-1,3-dicarbonitrile
CID 139538922
11,12-dimethyl-1-[[3-(9-methylcarbazol-3-yl)carbazol-9-yl]methyl]indolo[2,3-a]carbazole
CID 145108998
2-(3-cyanophenyl)-4,5-bis(3-phenylcarbazol-9-yl)benzonitrile
CID 155377559

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[11-[2-cyano-5-(3-cyanophenyl)-4-(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]-12-methylindolo[2,3-a]carbazol-4-yl]methyl]indolo[3,2-c]carbazol-12-yl]-4-(3-cyanophenyl)-5-(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile?
The IUPAC name of 2-[5-[[11-[2-cyano-5-(3-cyanophenyl)-4-(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]-12-methylindolo[2,3-a]carbazol-4-yl]methyl]indolo[3,2-c]carbazol-12-yl]-4-(3-cyanophenyl)-5-(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile (CID 155377911) is 2-[5-[[11-[2-cyano-5-(3-cyanophenyl)-4-(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]-12-methylindolo[2,3-a]carbazol-4-yl]methyl]indolo[3,2-c]carbazol-12-yl]-4-(3-cyanophenyl)-5-(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile.
What is the SMILES notation for 2-[5-[[11-[2-cyano-5-(3-cyanophenyl)-4-(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]-12-methylindolo[2,3-a]carbazol-4-yl]methyl]indolo[3,2-c]carbazol-12-yl]-4-(3-cyanophenyl)-5-(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile?
The canonical SMILES for 2-[5-[[11-[2-cyano-5-(3-cyanophenyl)-4-(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]-12-methylindolo[2,3-a]carbazol-4-yl]methyl]indolo[3,2-c]carbazol-12-yl]-4-(3-cyanophenyl)-5-(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile is Cn1c2ccccc2c2c1ccc1c3ccccc3n(-c3cc(C#N)c(-n4c5ccccc5c5ccc6c(c7ccccc7n6Cc6cccc7c6c6ccc8c9ccccc9n(-c9cc(-c%10cccc(C#N)c%10)c(-n%10c%11ccccc%11c%11ccc%12c%13ccccc%13n(C)c%12c%11%10)cc9C#N)c8c6n7C)c54)cc3-c3cccc(C#N)c3)c12.
What is the InChIKey of 2-[5-[[11-[2-cyano-5-(3-cyanophenyl)-4-(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]-12-methylindolo[2,3-a]carbazol-4-yl]methyl]indolo[3,2-c]carbazol-12-yl]-4-(3-cyanophenyl)-5-(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile?
The InChIKey is ROTCGFZONDYRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H62N12/c1-109-83-34-12-9-31-77(83)97-90(109)47-45-72-69-28-6-16-38-87(69)115(99(72)97)94-51-65(57-107)92(53-80(94)62-23-18-21-60(49-62)55-105)113-85-36-14-5-27-68(85)73-46-48-91-98(100(73)113)78-32-10-13-35-84(78)112(91)59-64-25-20-40-89-96(64)79-44-43-76-70-29-7-15-37-86(70)114(104(76)102(79)111(89)3)93-54-81(63-24-19-22-61(50-63)56-106)95(52-66(93)58-108)116-88-39-17-8-30-71(88)75-42-41-74-67-26-4-11-33-82(67)110(2)101(74)103(75)116/h4-54H,59H2,1-3H3.
What are the key properties of 2-[5-[[11-[2-cyano-5-(3-cyanophenyl)-4-(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]-12-methylindolo[2,3-a]carbazol-4-yl]methyl]indolo[3,2-c]carbazol-12-yl]-4-(3-cyanophenyl)-5-(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile?
2-[5-[[11-[2-cyano-5-(3-cyanophenyl)-4-(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]-12-methylindolo[2,3-a]carbazol-4-yl]methyl]indolo[3,2-c]carbazol-12-yl]-4-(3-cyanophenyl)-5-(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile has a molecular weight of 1479.72 g/mol, XLogP of 24.99, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[11-[2-cyano-5-(3-cyanophenyl)-4-(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]-12-methylindolo[2,3-a]carbazol-4-yl]methyl]indolo[3,2-c]carbazol-12-yl]-4-(3-cyanophenyl)-5-(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile is sourced from PubChem (CID 155377911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).