2-[3-[4-[2-[4-[9-[4-[2,7-bis(4-methylphenyl)carbazol-9-yl]-5-cyano-2-pyridin-4-ylphenyl]-7-(4-methylphenyl)carbazol-2-yl]phenyl]ethyl]-2-methylphenyl]carbazol-9-yl]-5-[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile

C116H82N8 — CID 134292610

IUPAC2-[3-[4-[2-[4-[9-[4-[2,7-bis(4-methylphenyl)carbazol-9-yl]-5-cyano-2-pyridin-4-ylphenyl]-7-(4-methylphenyl)carbazol-2-yl]phenyl]ethyl]-2-methylphenyl]carbazol-9-yl]-5-[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
SMILESCc1ccc(-c2ccc3c4ccc(-c5ccc(C)cc5)cc4n(-c4cc(-c5ccncc5)c(-n5c6cc(-c7ccc(C)cc7)ccc6c6ccc(-c7ccc(CCc8ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9cc(-c%10ccncc%10)c(-n%10c%11ccccc%11c%11cc(-c%12ccc(C)cc%12C)ccc%11%10)cc9C#N)c(C)c8)cc7)cc65)cc4C#N)c3c2)cc1
InChIInChI=1S/C116H82N8/c1-71-15-27-79(28-16-71)85-35-43-97-98-44-36-86(80-29-17-72(2)18-30-80)62-112(98)123(111(97)61-85)110-68-102(84-51-55-120-56-52-84)116(66-92(110)70-118)124-113-63-87(81-31-19-73(3)20-32-81)37-45-99(113)100-46-38-88(64-114(100)124)82-33-24-77(25-34-82)22-23-78-26-42-94(76(6)58-78)90-39-47-107-103(60-90)95-11-7-9-13-105(95)121(107)109-67-101(83-49-53-119-54-50-83)115(65-91(109)69-117)122-106-14-10-8-12-96(106)104-59-89(40-48-108(104)122)93-41-21-74(4)57-75(93)5/h7-21,24-68H,22-23H2,1-6H3
InChIKeyWRFGFPHQIVERCB-UHFFFAOYSA-N
MW1587.99 g/mol
LogP29.58
Rot. Bonds15

About 2-[3-[4-[2-[4-[9-[4-[2,7-bis(4-methylphenyl)carbazol-9-yl]-5-cyano-2-pyridin-4-ylphenyl]-7-(4-methylphenyl)carbazol-2-yl]phenyl]ethyl]-2-methylphenyl]carbazol-9-yl]-5-[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile

2-[3-[4-[2-[4-[9-[4-[2,7-bis(4-methylphenyl)carbazol-9-yl]-5-cyano-2-pyridin-4-ylphenyl]-7-(4-methylphenyl)carbazol-2-yl]phenyl]ethyl]-2-methylphenyl]carbazol-9-yl]-5-[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile (PubChem CID 134292610) has the molecular formula C116H82N8 and a molecular weight of 1587.99 g/mol. Its IUPAC name is 2-[3-[4-[2-[4-[9-[4-[2,7-bis(4-methylphenyl)carbazol-9-yl]-5-cyano-2-pyridin-4-ylphenyl]-7-(4-methylphenyl)carbazol-2-yl]phenyl]ethyl]-2-methylphenyl]carbazol-9-yl]-5-[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile.

Molecular Properties

Compound Name2-[3-[4-[2-[4-[9-[4-[2,7-bis(4-methylphenyl)carbazol-9-yl]-5-cyano-2-pyridin-4-ylphenyl]-7-(4-methylphenyl)carbazol-2-yl]phenyl]ethyl]-2-methylphenyl]carbazol-9-yl]-5-[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
PubChem CID134292610
Molecular FormulaC116H82N8
Molecular Weight1587.99 g/mol
Exact Mass1586.67
IUPAC Name2-[3-[4-[2-[4-[9-[4-[2,7-bis(4-methylphenyl)carbazol-9-yl]-5-cyano-2-pyridin-4-ylphenyl]-7-(4-methylphenyl)carbazol-2-yl]phenyl]ethyl]-2-methylphenyl]carbazol-9-yl]-5-[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
SMILESCc1ccc(-c2ccc3c4ccc(-c5ccc(C)cc5)cc4n(-c4cc(-c5ccncc5)c(-n5c6cc(-c7ccc(C)cc7)ccc6c6ccc(-c7ccc(CCc8ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9cc(-c%10ccncc%10)c(-n%10c%11ccccc%11c%11cc(-c%12ccc(C)cc%12C)ccc%11%10)cc9C#N)c(C)c8)cc7)cc65)cc4C#N)c3c2)cc1
InChIInChI=1S/C116H82N8/c1-71-15-27-79(28-16-71)85-35-43-97-98-44-36-86(80-29-17-72(2)18-30-80)62-112(98)123(111(97)61-85)110-68-102(84-51-55-120-56-52-84)116(66-92(110)70-118)124-113-63-87(81-31-19-73(3)20-32-81)37-45-99(113)100-46-38-88(64-114(100)124)82-33-24-77(25-34-82)22-23-78-26-42-94(76(6)58-78)90-39-47-107-103(60-90)95-11-7-9-13-105(95)121(107)109-67-101(83-49-53-119-54-50-83)115(65-91(109)69-117)122-106-14-10-8-12-96(106)104-59-89(40-48-108(104)122)93-41-21-74(4)57-75(93)5/h7-21,24-68H,22-23H2,1-6H3
InChIKeyWRFGFPHQIVERCB-UHFFFAOYSA-N
XLogP29.58
TPSA93.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms124
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001587.99
LogP ≤ 529.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[3-[4-[2-[4-[9-[4-[2,7-bis(4-methylphenyl)carbazol-9-yl]-5-cyano-2-pyridin-4-ylphenyl]-7-(4-methylphenyl)carbazol-2-yl]phenyl]ethyl]-2-methylphenyl]carbazol-9-yl]-5-[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[2-[4-[9-[4-[2,7-bis(4-methylphenyl)carbazol-9-yl]-5-cyano-2-pyridin-4-ylphenyl]-7-(4-methylphenyl)carbazol-2-yl]phenyl]ethyl]-2-methylphenyl]carbazol-9-yl]-5-[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile?
The IUPAC name of 2-[3-[4-[2-[4-[9-[4-[2,7-bis(4-methylphenyl)carbazol-9-yl]-5-cyano-2-pyridin-4-ylphenyl]-7-(4-methylphenyl)carbazol-2-yl]phenyl]ethyl]-2-methylphenyl]carbazol-9-yl]-5-[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile (CID 134292610) is 2-[3-[4-[2-[4-[9-[4-[2,7-bis(4-methylphenyl)carbazol-9-yl]-5-cyano-2-pyridin-4-ylphenyl]-7-(4-methylphenyl)carbazol-2-yl]phenyl]ethyl]-2-methylphenyl]carbazol-9-yl]-5-[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile.
What is the SMILES notation for 2-[3-[4-[2-[4-[9-[4-[2,7-bis(4-methylphenyl)carbazol-9-yl]-5-cyano-2-pyridin-4-ylphenyl]-7-(4-methylphenyl)carbazol-2-yl]phenyl]ethyl]-2-methylphenyl]carbazol-9-yl]-5-[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile?
The canonical SMILES for 2-[3-[4-[2-[4-[9-[4-[2,7-bis(4-methylphenyl)carbazol-9-yl]-5-cyano-2-pyridin-4-ylphenyl]-7-(4-methylphenyl)carbazol-2-yl]phenyl]ethyl]-2-methylphenyl]carbazol-9-yl]-5-[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile is Cc1ccc(-c2ccc3c4ccc(-c5ccc(C)cc5)cc4n(-c4cc(-c5ccncc5)c(-n5c6cc(-c7ccc(C)cc7)ccc6c6ccc(-c7ccc(CCc8ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9cc(-c%10ccncc%10)c(-n%10c%11ccccc%11c%11cc(-c%12ccc(C)cc%12C)ccc%11%10)cc9C#N)c(C)c8)cc7)cc65)cc4C#N)c3c2)cc1.
What is the InChIKey of 2-[3-[4-[2-[4-[9-[4-[2,7-bis(4-methylphenyl)carbazol-9-yl]-5-cyano-2-pyridin-4-ylphenyl]-7-(4-methylphenyl)carbazol-2-yl]phenyl]ethyl]-2-methylphenyl]carbazol-9-yl]-5-[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile?
The InChIKey is WRFGFPHQIVERCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C116H82N8/c1-71-15-27-79(28-16-71)85-35-43-97-98-44-36-86(80-29-17-72(2)18-30-80)62-112(98)123(111(97)61-85)110-68-102(84-51-55-120-56-52-84)116(66-92(110)70-118)124-113-63-87(81-31-19-73(3)20-32-81)37-45-99(113)100-46-38-88(64-114(100)124)82-33-24-77(25-34-82)22-23-78-26-42-94(76(6)58-78)90-39-47-107-103(60-90)95-11-7-9-13-105(95)121(107)109-67-101(83-49-53-119-54-50-83)115(65-91(109)69-117)122-106-14-10-8-12-96(106)104-59-89(40-48-108(104)122)93-41-21-74(4)57-75(93)5/h7-21,24-68H,22-23H2,1-6H3.
What are the key properties of 2-[3-[4-[2-[4-[9-[4-[2,7-bis(4-methylphenyl)carbazol-9-yl]-5-cyano-2-pyridin-4-ylphenyl]-7-(4-methylphenyl)carbazol-2-yl]phenyl]ethyl]-2-methylphenyl]carbazol-9-yl]-5-[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile?
2-[3-[4-[2-[4-[9-[4-[2,7-bis(4-methylphenyl)carbazol-9-yl]-5-cyano-2-pyridin-4-ylphenyl]-7-(4-methylphenyl)carbazol-2-yl]phenyl]ethyl]-2-methylphenyl]carbazol-9-yl]-5-[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile has a molecular weight of 1587.99 g/mol, XLogP of 29.58, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[2-[4-[9-[4-[2,7-bis(4-methylphenyl)carbazol-9-yl]-5-cyano-2-pyridin-4-ylphenyl]-7-(4-methylphenyl)carbazol-2-yl]phenyl]ethyl]-2-methylphenyl]carbazol-9-yl]-5-[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile is sourced from PubChem (CID 134292610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).