2-[6-[[4-[9-[5-[3-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-cyanophenyl]-2-cyanophenyl]-7-(2,4-dimethylphenyl)carbazol-2-yl]-3-methylphenyl]methyl]-2-(2,4-dimethylphenyl)carbazol-9-yl]-4-[4-cyano-3-[2-(2,4-dimethylphenyl)carbazol-9-yl]phenyl]benzonitrile

C124H90N8 — CID 138736299

IUPAC2-[6-[[4-[9-[5-[3-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-cyanophenyl]-2-cyanophenyl]-7-(2,4-dimethylphenyl)carbazol-2-yl]-3-methylphenyl]methyl]-2-(2,4-dimethylphenyl)carbazol-9-yl]-4-[4-cyano-3-[2-(2,4-dimethylphenyl)carbazol-9-yl]phenyl]benzonitrile
SMILESCc1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5ccc(C#N)c(-n6c7ccc(Cc8ccc(-c9ccc%10c%11ccc(-c%12ccc(C)cc%12C)cc%11n(-c%11cc(-c%12ccc(C#N)c(-n%13c%14cc(-c%15ccc(C)cc%15C)ccc%14c%14ccc(-c%15ccc(C)cc%15C)cc%14%13)c%12)ccc%11C#N)c%10c9)c(C)c8)cc7c7ccc(-c8ccc(C)cc8C)cc76)c5)ccc4C#N)c3c2)c(C)c1
InChIInChI=1S/C124H90N8/c1-72-16-37-99(77(6)50-72)89-31-43-106-105-14-12-13-15-113(105)129(119(106)62-89)115-58-85(23-27-95(115)68-125)86-24-28-96(69-126)116(59-86)130-114-49-22-84(57-112(114)111-48-36-93(67-124(111)130)103-41-20-76(5)54-81(103)10)56-83-21-42-104(82(11)55-83)94-35-47-110-109-46-34-92(102-40-19-75(4)53-80(102)9)65-122(109)132(123(110)66-94)118-61-88(26-30-98(118)71-128)87-25-29-97(70-127)117(60-87)131-120-63-90(100-38-17-73(2)51-78(100)7)32-44-107(120)108-45-33-91(64-121(108)131)101-39-18-74(3)52-79(101)8/h12-55,57-67H,56H2,1-11H3
InChIKeyJUWUCEBCWWDZHY-UHFFFAOYSA-N
MW1692.14 g/mol
LogP31.88
Rot. Bonds14

About 2-[6-[[4-[9-[5-[3-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-cyanophenyl]-2-cyanophenyl]-7-(2,4-dimethylphenyl)carbazol-2-yl]-3-methylphenyl]methyl]-2-(2,4-dimethylphenyl)carbazol-9-yl]-4-[4-cyano-3-[2-(2,4-dimethylphenyl)carbazol-9-yl]phenyl]benzonitrile

2-[6-[[4-[9-[5-[3-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-cyanophenyl]-2-cyanophenyl]-7-(2,4-dimethylphenyl)carbazol-2-yl]-3-methylphenyl]methyl]-2-(2,4-dimethylphenyl)carbazol-9-yl]-4-[4-cyano-3-[2-(2,4-dimethylphenyl)carbazol-9-yl]phenyl]benzonitrile (PubChem CID 138736299) has the molecular formula C124H90N8 and a molecular weight of 1692.14 g/mol. Its IUPAC name is 2-[6-[[4-[9-[5-[3-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-cyanophenyl]-2-cyanophenyl]-7-(2,4-dimethylphenyl)carbazol-2-yl]-3-methylphenyl]methyl]-2-(2,4-dimethylphenyl)carbazol-9-yl]-4-[4-cyano-3-[2-(2,4-dimethylphenyl)carbazol-9-yl]phenyl]benzonitrile.

Molecular Properties

Compound Name2-[6-[[4-[9-[5-[3-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-cyanophenyl]-2-cyanophenyl]-7-(2,4-dimethylphenyl)carbazol-2-yl]-3-methylphenyl]methyl]-2-(2,4-dimethylphenyl)carbazol-9-yl]-4-[4-cyano-3-[2-(2,4-dimethylphenyl)carbazol-9-yl]phenyl]benzonitrile
PubChem CID138736299
Molecular FormulaC124H90N8
Molecular Weight1692.14 g/mol
Exact Mass1690.73
IUPAC Name2-[6-[[4-[9-[5-[3-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-cyanophenyl]-2-cyanophenyl]-7-(2,4-dimethylphenyl)carbazol-2-yl]-3-methylphenyl]methyl]-2-(2,4-dimethylphenyl)carbazol-9-yl]-4-[4-cyano-3-[2-(2,4-dimethylphenyl)carbazol-9-yl]phenyl]benzonitrile
SMILESCc1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5ccc(C#N)c(-n6c7ccc(Cc8ccc(-c9ccc%10c%11ccc(-c%12ccc(C)cc%12C)cc%11n(-c%11cc(-c%12ccc(C#N)c(-n%13c%14cc(-c%15ccc(C)cc%15C)ccc%14c%14ccc(-c%15ccc(C)cc%15C)cc%14%13)c%12)ccc%11C#N)c%10c9)c(C)c8)cc7c7ccc(-c8ccc(C)cc8C)cc76)c5)ccc4C#N)c3c2)c(C)c1
InChIInChI=1S/C124H90N8/c1-72-16-37-99(77(6)50-72)89-31-43-106-105-14-12-13-15-113(105)129(119(106)62-89)115-58-85(23-27-95(115)68-125)86-24-28-96(69-126)116(59-86)130-114-49-22-84(57-112(114)111-48-36-93(67-124(111)130)103-41-20-76(5)54-81(103)10)56-83-21-42-104(82(11)55-83)94-35-47-110-109-46-34-92(102-40-19-75(4)53-80(102)9)65-122(109)132(123(110)66-94)118-61-88(26-30-98(118)71-128)87-25-29-97(70-127)117(60-87)131-120-63-90(100-38-17-73(2)51-78(100)7)32-44-107(120)108-45-33-91(64-121(108)131)101-39-18-74(3)52-79(101)8/h12-55,57-67H,56H2,1-11H3
InChIKeyJUWUCEBCWWDZHY-UHFFFAOYSA-N
XLogP31.88
TPSA114.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms132
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001692.14
LogP ≤ 531.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[6-[[4-[9-[5-[3-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-cyanophenyl]-2-cyanophenyl]-7-(2,4-dimethylphenyl)carbazol-2-yl]-3-methylphenyl]methyl]-2-(2,4-dimethylphenyl)carbazol-9-yl]-4-[4-cyano-3-[2-(2,4-dimethylphenyl)carbazol-9-yl]phenyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[4-[9-[5-[3-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-cyanophenyl]-2-cyanophenyl]-7-(2,4-dimethylphenyl)carbazol-2-yl]-3-methylphenyl]methyl]-2-(2,4-dimethylphenyl)carbazol-9-yl]-4-[4-cyano-3-[2-(2,4-dimethylphenyl)carbazol-9-yl]phenyl]benzonitrile?
The IUPAC name of 2-[6-[[4-[9-[5-[3-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-cyanophenyl]-2-cyanophenyl]-7-(2,4-dimethylphenyl)carbazol-2-yl]-3-methylphenyl]methyl]-2-(2,4-dimethylphenyl)carbazol-9-yl]-4-[4-cyano-3-[2-(2,4-dimethylphenyl)carbazol-9-yl]phenyl]benzonitrile (CID 138736299) is 2-[6-[[4-[9-[5-[3-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-cyanophenyl]-2-cyanophenyl]-7-(2,4-dimethylphenyl)carbazol-2-yl]-3-methylphenyl]methyl]-2-(2,4-dimethylphenyl)carbazol-9-yl]-4-[4-cyano-3-[2-(2,4-dimethylphenyl)carbazol-9-yl]phenyl]benzonitrile.
What is the SMILES notation for 2-[6-[[4-[9-[5-[3-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-cyanophenyl]-2-cyanophenyl]-7-(2,4-dimethylphenyl)carbazol-2-yl]-3-methylphenyl]methyl]-2-(2,4-dimethylphenyl)carbazol-9-yl]-4-[4-cyano-3-[2-(2,4-dimethylphenyl)carbazol-9-yl]phenyl]benzonitrile?
The canonical SMILES for 2-[6-[[4-[9-[5-[3-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-cyanophenyl]-2-cyanophenyl]-7-(2,4-dimethylphenyl)carbazol-2-yl]-3-methylphenyl]methyl]-2-(2,4-dimethylphenyl)carbazol-9-yl]-4-[4-cyano-3-[2-(2,4-dimethylphenyl)carbazol-9-yl]phenyl]benzonitrile is Cc1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5ccc(C#N)c(-n6c7ccc(Cc8ccc(-c9ccc%10c%11ccc(-c%12ccc(C)cc%12C)cc%11n(-c%11cc(-c%12ccc(C#N)c(-n%13c%14cc(-c%15ccc(C)cc%15C)ccc%14c%14ccc(-c%15ccc(C)cc%15C)cc%14%13)c%12)ccc%11C#N)c%10c9)c(C)c8)cc7c7ccc(-c8ccc(C)cc8C)cc76)c5)ccc4C#N)c3c2)c(C)c1.
What is the InChIKey of 2-[6-[[4-[9-[5-[3-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-cyanophenyl]-2-cyanophenyl]-7-(2,4-dimethylphenyl)carbazol-2-yl]-3-methylphenyl]methyl]-2-(2,4-dimethylphenyl)carbazol-9-yl]-4-[4-cyano-3-[2-(2,4-dimethylphenyl)carbazol-9-yl]phenyl]benzonitrile?
The InChIKey is JUWUCEBCWWDZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C124H90N8/c1-72-16-37-99(77(6)50-72)89-31-43-106-105-14-12-13-15-113(105)129(119(106)62-89)115-58-85(23-27-95(115)68-125)86-24-28-96(69-126)116(59-86)130-114-49-22-84(57-112(114)111-48-36-93(67-124(111)130)103-41-20-76(5)54-81(103)10)56-83-21-42-104(82(11)55-83)94-35-47-110-109-46-34-92(102-40-19-75(4)53-80(102)9)65-122(109)132(123(110)66-94)118-61-88(26-30-98(118)71-128)87-25-29-97(70-127)117(60-87)131-120-63-90(100-38-17-73(2)51-78(100)7)32-44-107(120)108-45-33-91(64-121(108)131)101-39-18-74(3)52-79(101)8/h12-55,57-67H,56H2,1-11H3.
What are the key properties of 2-[6-[[4-[9-[5-[3-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-cyanophenyl]-2-cyanophenyl]-7-(2,4-dimethylphenyl)carbazol-2-yl]-3-methylphenyl]methyl]-2-(2,4-dimethylphenyl)carbazol-9-yl]-4-[4-cyano-3-[2-(2,4-dimethylphenyl)carbazol-9-yl]phenyl]benzonitrile?
2-[6-[[4-[9-[5-[3-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-cyanophenyl]-2-cyanophenyl]-7-(2,4-dimethylphenyl)carbazol-2-yl]-3-methylphenyl]methyl]-2-(2,4-dimethylphenyl)carbazol-9-yl]-4-[4-cyano-3-[2-(2,4-dimethylphenyl)carbazol-9-yl]phenyl]benzonitrile has a molecular weight of 1692.14 g/mol, XLogP of 31.88, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[4-[9-[5-[3-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-cyanophenyl]-2-cyanophenyl]-7-(2,4-dimethylphenyl)carbazol-2-yl]-3-methylphenyl]methyl]-2-(2,4-dimethylphenyl)carbazol-9-yl]-4-[4-cyano-3-[2-(2,4-dimethylphenyl)carbazol-9-yl]phenyl]benzonitrile is sourced from PubChem (CID 138736299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).