2-[3-[9-[2-cyano-3-(2-phenylcarbazol-9-yl)-5-[2-(2-phenylphenyl)-3-pyridinyl]phenyl]-7-phenylcarbazol-3-yl]-6-phenylcarbazol-9-yl]-6-(3-phenylcarbazol-9-yl)-4-[2-(2-phenylphenyl)-3-pyridinyl]benzonitrile

C120H74N8 — CID 166785146

IUPAC2-[3-[9-[2-cyano-3-(2-phenylcarbazol-9-yl)-5-[2-(2-phenylphenyl)-3-pyridinyl]phenyl]-7-phenylcarbazol-3-yl]-6-phenylcarbazol-9-yl]-6-(3-phenylcarbazol-9-yl)-4-[2-(2-phenylphenyl)-3-pyridinyl]benzonitrile
SMILESN#Cc1c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)cc(-c2cccnc2-c2ccccc2-c2ccccc2)cc1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccc4c(c3)c3ccc(-c5ccccc5)cc3n4-c3cc(-c4cccnc4-c4ccccc4-c4ccccc4)cc(-n4c5ccccc5c5ccc(-c6ccccc6)cc54)c3C#N)ccc21
InChIInChI=1S/C120H74N8/c121-75-105-115(125-108-50-26-24-44-96(108)101-65-83(53-59-109(101)125)77-29-7-1-8-30-77)71-89(93-47-27-63-123-119(93)99-45-21-19-41-91(99)81-37-15-5-16-38-81)72-116(105)126-111-60-54-84(78-31-9-2-10-32-78)66-103(111)104-68-86(56-62-112(104)126)85-55-61-110-102(67-85)98-58-52-88(80-35-13-4-14-36-80)70-114(98)128(110)118-74-90(94-48-28-64-124-120(94)100-46-22-20-42-92(100)82-39-17-6-18-40-82)73-117(106(118)76-122)127-107-49-25-23-43-95(107)97-57-51-87(69-113(97)127)79-33-11-3-12-34-79/h1-74H
InChIKeyCQQHXNYTZBPFSB-UHFFFAOYSA-N
MW1627.97 g/mol
LogP30.95
Rot. Bonds15

About 2-[3-[9-[2-cyano-3-(2-phenylcarbazol-9-yl)-5-[2-(2-phenylphenyl)-3-pyridinyl]phenyl]-7-phenylcarbazol-3-yl]-6-phenylcarbazol-9-yl]-6-(3-phenylcarbazol-9-yl)-4-[2-(2-phenylphenyl)-3-pyridinyl]benzonitrile

2-[3-[9-[2-cyano-3-(2-phenylcarbazol-9-yl)-5-[2-(2-phenylphenyl)-3-pyridinyl]phenyl]-7-phenylcarbazol-3-yl]-6-phenylcarbazol-9-yl]-6-(3-phenylcarbazol-9-yl)-4-[2-(2-phenylphenyl)-3-pyridinyl]benzonitrile (PubChem CID 166785146) has the molecular formula C120H74N8 and a molecular weight of 1627.97 g/mol. Its IUPAC name is 2-[3-[9-[2-cyano-3-(2-phenylcarbazol-9-yl)-5-[2-(2-phenylphenyl)-3-pyridinyl]phenyl]-7-phenylcarbazol-3-yl]-6-phenylcarbazol-9-yl]-6-(3-phenylcarbazol-9-yl)-4-[2-(2-phenylphenyl)-3-pyridinyl]benzonitrile.

Molecular Properties

Compound Name2-[3-[9-[2-cyano-3-(2-phenylcarbazol-9-yl)-5-[2-(2-phenylphenyl)-3-pyridinyl]phenyl]-7-phenylcarbazol-3-yl]-6-phenylcarbazol-9-yl]-6-(3-phenylcarbazol-9-yl)-4-[2-(2-phenylphenyl)-3-pyridinyl]benzonitrile
PubChem CID166785146
Molecular FormulaC120H74N8
Molecular Weight1627.97 g/mol
Exact Mass1626.60
IUPAC Name2-[3-[9-[2-cyano-3-(2-phenylcarbazol-9-yl)-5-[2-(2-phenylphenyl)-3-pyridinyl]phenyl]-7-phenylcarbazol-3-yl]-6-phenylcarbazol-9-yl]-6-(3-phenylcarbazol-9-yl)-4-[2-(2-phenylphenyl)-3-pyridinyl]benzonitrile
SMILESN#Cc1c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)cc(-c2cccnc2-c2ccccc2-c2ccccc2)cc1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccc4c(c3)c3ccc(-c5ccccc5)cc3n4-c3cc(-c4cccnc4-c4ccccc4-c4ccccc4)cc(-n4c5ccccc5c5ccc(-c6ccccc6)cc54)c3C#N)ccc21
InChIInChI=1S/C120H74N8/c121-75-105-115(125-108-50-26-24-44-96(108)101-65-83(53-59-109(101)125)77-29-7-1-8-30-77)71-89(93-47-27-63-123-119(93)99-45-21-19-41-91(99)81-37-15-5-16-38-81)72-116(105)126-111-60-54-84(78-31-9-2-10-32-78)66-103(111)104-68-86(56-62-112(104)126)85-55-61-110-102(67-85)98-58-52-88(80-35-13-4-14-36-80)70-114(98)128(110)118-74-90(94-48-28-64-124-120(94)100-46-22-20-42-92(100)82-39-17-6-18-40-82)73-117(106(118)76-122)127-107-49-25-23-43-95(107)97-57-51-87(69-113(97)127)79-33-11-3-12-34-79/h1-74H
InChIKeyCQQHXNYTZBPFSB-UHFFFAOYSA-N
XLogP30.95
TPSA93.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms128
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001627.97
LogP ≤ 530.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[3-[9-[2-cyano-3-(2-phenylcarbazol-9-yl)-5-[2-(2-phenylphenyl)-3-pyridinyl]phenyl]-7-phenylcarbazol-3-yl]-6-phenylcarbazol-9-yl]-6-(3-phenylcarbazol-9-yl)-4-[2-(2-phenylphenyl)-3-pyridinyl]benzonitrile with MolForge

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Related Compounds

2,6-bis(3-methylcarbazol-9-yl)-4-[2-(3-phenylphenyl)-3-pyridinyl]benzonitrile
CID 166785155
2,6-bis[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-[2-(3-phenylphenyl)-3-pyridinyl]benzonitrile
CID 166785160
2,6-bis[2,7-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(3,5-difluorophenyl)benzonitrile;2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(3,5-difluorophenyl)benzonitrile;4-(3,5-difluorophenyl)-2,6-bis[2-(2-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile;4-(3,5-difluorophenyl)-2,6-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile
CID 158091253
2,6-bis(3,6-diphenylcarbazol-9-yl)-4-(4-pyrido[2,3-b]indol-9-ylphenyl)benzonitrile
CID 139523682
4-(2-fluorophenyl)-2,6-bis(2-phenylcarbazol-9-yl)benzonitrile
CID 147225252
2,6-bis[3-(2-methylphenyl)carbazol-9-yl]-4-(2-methyl-4-pyridinyl)benzonitrile
CID 134292730
2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-6-[3-[3-[3-[9-[2-cyano-3-[2-(3-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylphenyl]carbazol-2-yl]-5-methylphenyl]-2-methylphenyl]-6-(2-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 154966870
2,5-bis(3,6-diphenylcarbazol-9-yl)-4-(4-pyrido[2,3-b]indol-9-ylphenyl)benzonitrile
CID 139523708
2,6-diphenyl-4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile
CID 122414507
2-(2-phenylphenyl)-9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 170072989
3-[3,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile
CID 155377672
4-(3-cyanophenyl)-2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
CID 146238092

Frequently Asked Questions

What is the IUPAC name of 2-[3-[9-[2-cyano-3-(2-phenylcarbazol-9-yl)-5-[2-(2-phenylphenyl)-3-pyridinyl]phenyl]-7-phenylcarbazol-3-yl]-6-phenylcarbazol-9-yl]-6-(3-phenylcarbazol-9-yl)-4-[2-(2-phenylphenyl)-3-pyridinyl]benzonitrile?
The IUPAC name of 2-[3-[9-[2-cyano-3-(2-phenylcarbazol-9-yl)-5-[2-(2-phenylphenyl)-3-pyridinyl]phenyl]-7-phenylcarbazol-3-yl]-6-phenylcarbazol-9-yl]-6-(3-phenylcarbazol-9-yl)-4-[2-(2-phenylphenyl)-3-pyridinyl]benzonitrile (CID 166785146) is 2-[3-[9-[2-cyano-3-(2-phenylcarbazol-9-yl)-5-[2-(2-phenylphenyl)-3-pyridinyl]phenyl]-7-phenylcarbazol-3-yl]-6-phenylcarbazol-9-yl]-6-(3-phenylcarbazol-9-yl)-4-[2-(2-phenylphenyl)-3-pyridinyl]benzonitrile.
What is the SMILES notation for 2-[3-[9-[2-cyano-3-(2-phenylcarbazol-9-yl)-5-[2-(2-phenylphenyl)-3-pyridinyl]phenyl]-7-phenylcarbazol-3-yl]-6-phenylcarbazol-9-yl]-6-(3-phenylcarbazol-9-yl)-4-[2-(2-phenylphenyl)-3-pyridinyl]benzonitrile?
The canonical SMILES for 2-[3-[9-[2-cyano-3-(2-phenylcarbazol-9-yl)-5-[2-(2-phenylphenyl)-3-pyridinyl]phenyl]-7-phenylcarbazol-3-yl]-6-phenylcarbazol-9-yl]-6-(3-phenylcarbazol-9-yl)-4-[2-(2-phenylphenyl)-3-pyridinyl]benzonitrile is N#Cc1c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)cc(-c2cccnc2-c2ccccc2-c2ccccc2)cc1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccc4c(c3)c3ccc(-c5ccccc5)cc3n4-c3cc(-c4cccnc4-c4ccccc4-c4ccccc4)cc(-n4c5ccccc5c5ccc(-c6ccccc6)cc54)c3C#N)ccc21.
What is the InChIKey of 2-[3-[9-[2-cyano-3-(2-phenylcarbazol-9-yl)-5-[2-(2-phenylphenyl)-3-pyridinyl]phenyl]-7-phenylcarbazol-3-yl]-6-phenylcarbazol-9-yl]-6-(3-phenylcarbazol-9-yl)-4-[2-(2-phenylphenyl)-3-pyridinyl]benzonitrile?
The InChIKey is CQQHXNYTZBPFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C120H74N8/c121-75-105-115(125-108-50-26-24-44-96(108)101-65-83(53-59-109(101)125)77-29-7-1-8-30-77)71-89(93-47-27-63-123-119(93)99-45-21-19-41-91(99)81-37-15-5-16-38-81)72-116(105)126-111-60-54-84(78-31-9-2-10-32-78)66-103(111)104-68-86(56-62-112(104)126)85-55-61-110-102(67-85)98-58-52-88(80-35-13-4-14-36-80)70-114(98)128(110)118-74-90(94-48-28-64-124-120(94)100-46-22-20-42-92(100)82-39-17-6-18-40-82)73-117(106(118)76-122)127-107-49-25-23-43-95(107)97-57-51-87(69-113(97)127)79-33-11-3-12-34-79/h1-74H.
What are the key properties of 2-[3-[9-[2-cyano-3-(2-phenylcarbazol-9-yl)-5-[2-(2-phenylphenyl)-3-pyridinyl]phenyl]-7-phenylcarbazol-3-yl]-6-phenylcarbazol-9-yl]-6-(3-phenylcarbazol-9-yl)-4-[2-(2-phenylphenyl)-3-pyridinyl]benzonitrile?
2-[3-[9-[2-cyano-3-(2-phenylcarbazol-9-yl)-5-[2-(2-phenylphenyl)-3-pyridinyl]phenyl]-7-phenylcarbazol-3-yl]-6-phenylcarbazol-9-yl]-6-(3-phenylcarbazol-9-yl)-4-[2-(2-phenylphenyl)-3-pyridinyl]benzonitrile has a molecular weight of 1627.97 g/mol, XLogP of 30.95, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[9-[2-cyano-3-(2-phenylcarbazol-9-yl)-5-[2-(2-phenylphenyl)-3-pyridinyl]phenyl]-7-phenylcarbazol-3-yl]-6-phenylcarbazol-9-yl]-6-(3-phenylcarbazol-9-yl)-4-[2-(2-phenylphenyl)-3-pyridinyl]benzonitrile is sourced from PubChem (CID 166785146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).