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

C120H90N8 — CID 146543848

IUPAC3-[3-[3-[3-[[4-[9-[5-[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)-3-pyridinyl]-7-(3,5-dimethylphenyl)carbazol-2-yl]-2,6-dimethylphenyl]methyl]-5-methylphenyl]carbazol-9-yl]-5-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
SMILESCc1cc(C)cc(-c2ccc3c(c2)c2ccccc2n3-c2cncc(-n3c4ccccc4c4cc(-c5cc(C)cc(Cc6c(C)cc(-c7ccc8c9ccc(-c%10cc(C)cc(C)c%10)cc9n(-c9cncc(-n%10c%11cc(-c%12cc(C)cc(C)c%12)ccc%11c%11ccc(-c%12cc(C)cc(C)c%12)cc%11%10)c9-c9cccc(C#N)c9)c8c7)cc6C)c5)ccc43)c2-c2cccc(C#N)c2)c1
InChIInChI=1S/C120H90N8/c1-70-38-71(2)44-92(43-70)84-30-36-109-105(58-84)98-22-12-14-24-107(98)125(109)115-66-123-67-116(119(115)90-20-16-18-81(54-90)64-121)126-108-25-15-13-23-99(108)106-59-85(31-37-110(106)126)96-51-78(9)42-83(56-96)57-104-79(10)52-97(53-80(104)11)89-29-35-103-102-34-28-88(95-49-76(7)41-77(8)50-95)62-113(102)128(114(103)63-89)118-69-124-68-117(120(118)91-21-17-19-82(55-91)65-122)127-111-60-86(93-45-72(3)39-73(4)46-93)26-32-100(111)101-33-27-87(61-112(101)127)94-47-74(5)40-75(6)48-94/h12-56,58-63,66-69H,57H2,1-11H3
InChIKeyOPPGYZBNBLUMRD-UHFFFAOYSA-N
MW1644.10 g/mol
LogP30.93
Rot. Bonds14

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

3-[3-[3-[3-[[4-[9-[5-[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)-3-pyridinyl]-7-(3,5-dimethylphenyl)carbazol-2-yl]-2,6-dimethylphenyl]methyl]-5-methylphenyl]carbazol-9-yl]-5-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile (PubChem CID 146543848) has the molecular formula C120H90N8 and a molecular weight of 1644.10 g/mol. Its IUPAC name is 3-[3-[3-[3-[[4-[9-[5-[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)-3-pyridinyl]-7-(3,5-dimethylphenyl)carbazol-2-yl]-2,6-dimethylphenyl]methyl]-5-methylphenyl]carbazol-9-yl]-5-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile.

Molecular Properties

Compound Name3-[3-[3-[3-[[4-[9-[5-[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)-3-pyridinyl]-7-(3,5-dimethylphenyl)carbazol-2-yl]-2,6-dimethylphenyl]methyl]-5-methylphenyl]carbazol-9-yl]-5-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
PubChem CID146543848
Molecular FormulaC120H90N8
Molecular Weight1644.10 g/mol
Exact Mass1642.73
IUPAC Name3-[3-[3-[3-[[4-[9-[5-[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)-3-pyridinyl]-7-(3,5-dimethylphenyl)carbazol-2-yl]-2,6-dimethylphenyl]methyl]-5-methylphenyl]carbazol-9-yl]-5-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
SMILESCc1cc(C)cc(-c2ccc3c(c2)c2ccccc2n3-c2cncc(-n3c4ccccc4c4cc(-c5cc(C)cc(Cc6c(C)cc(-c7ccc8c9ccc(-c%10cc(C)cc(C)c%10)cc9n(-c9cncc(-n%10c%11cc(-c%12cc(C)cc(C)c%12)ccc%11c%11ccc(-c%12cc(C)cc(C)c%12)cc%11%10)c9-c9cccc(C#N)c9)c8c7)cc6C)c5)ccc43)c2-c2cccc(C#N)c2)c1
InChIInChI=1S/C120H90N8/c1-70-38-71(2)44-92(43-70)84-30-36-109-105(58-84)98-22-12-14-24-107(98)125(109)115-66-123-67-116(119(115)90-20-16-18-81(54-90)64-121)126-108-25-15-13-23-99(108)106-59-85(31-37-110(106)126)96-51-78(9)42-83(56-96)57-104-79(10)52-97(53-80(104)11)89-29-35-103-102-34-28-88(95-49-76(7)41-77(8)50-95)62-113(102)128(114(103)63-89)118-69-124-68-117(120(118)91-21-17-19-82(55-91)65-122)127-111-60-86(93-45-72(3)39-73(4)46-93)26-32-100(111)101-33-27-87(61-112(101)127)94-47-74(5)40-75(6)48-94/h12-56,58-63,66-69H,57H2,1-11H3
InChIKeyOPPGYZBNBLUMRD-UHFFFAOYSA-N
XLogP30.93
TPSA93.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms128
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001644.10
LogP ≤ 530.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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

Launch Full Analysis

Related Compounds

3-[3,5-bis[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 161042465
4-[3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544354
3-[3-[[3-[9-[5-cyano-3-[2-(3,5-dimethylphenyl)carbazol-9-yl]-2-[3-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-5-methylphenyl]methyl]-6-(3,5-dimethylphenyl)carbazol-9-yl]-5-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile
CID 162571719
3-[3-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-[3-[4-[2-[4-[9-[5-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)-3-pyridinyl]-7-(2,4-dimethylphenyl)carbazol-2-yl]-3-methylphenyl]ethyl]-2-methylphenyl]-6-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146546423
3,5-bis[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
CID 146237910
3-[3,5-bis[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544144
3-[4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-methylphenyl]benzonitrile;3-[4,5-bis[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-methylphenyl]benzonitrile;3-[5-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methyl-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile;3-[4-[2-(3,5-dimethylphenyl)carbazol-9-yl]-2-methyl-5-[2-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile
CID 159918160
3-[3-[2-(4-cyanophenyl)carbazol-9-yl]-5-[2-(4-isocyanophenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 153486386
4-(3-cyanophenyl)-3,5-bis[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile
CID 162083816
3-[3,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[2-(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 158607283
4-[3,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 146546484
3,5-bis[2,7-bis(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3,6-bis(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 161207738

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-[3-[[4-[9-[5-[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)-3-pyridinyl]-7-(3,5-dimethylphenyl)carbazol-2-yl]-2,6-dimethylphenyl]methyl]-5-methylphenyl]carbazol-9-yl]-5-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
The IUPAC name of 3-[3-[3-[3-[[4-[9-[5-[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)-3-pyridinyl]-7-(3,5-dimethylphenyl)carbazol-2-yl]-2,6-dimethylphenyl]methyl]-5-methylphenyl]carbazol-9-yl]-5-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile (CID 146543848) is 3-[3-[3-[3-[[4-[9-[5-[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)-3-pyridinyl]-7-(3,5-dimethylphenyl)carbazol-2-yl]-2,6-dimethylphenyl]methyl]-5-methylphenyl]carbazol-9-yl]-5-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile.
What is the SMILES notation for 3-[3-[3-[3-[[4-[9-[5-[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)-3-pyridinyl]-7-(3,5-dimethylphenyl)carbazol-2-yl]-2,6-dimethylphenyl]methyl]-5-methylphenyl]carbazol-9-yl]-5-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
The canonical SMILES for 3-[3-[3-[3-[[4-[9-[5-[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)-3-pyridinyl]-7-(3,5-dimethylphenyl)carbazol-2-yl]-2,6-dimethylphenyl]methyl]-5-methylphenyl]carbazol-9-yl]-5-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile is Cc1cc(C)cc(-c2ccc3c(c2)c2ccccc2n3-c2cncc(-n3c4ccccc4c4cc(-c5cc(C)cc(Cc6c(C)cc(-c7ccc8c9ccc(-c%10cc(C)cc(C)c%10)cc9n(-c9cncc(-n%10c%11cc(-c%12cc(C)cc(C)c%12)ccc%11c%11ccc(-c%12cc(C)cc(C)c%12)cc%11%10)c9-c9cccc(C#N)c9)c8c7)cc6C)c5)ccc43)c2-c2cccc(C#N)c2)c1.
What is the InChIKey of 3-[3-[3-[3-[[4-[9-[5-[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)-3-pyridinyl]-7-(3,5-dimethylphenyl)carbazol-2-yl]-2,6-dimethylphenyl]methyl]-5-methylphenyl]carbazol-9-yl]-5-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
The InChIKey is OPPGYZBNBLUMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C120H90N8/c1-70-38-71(2)44-92(43-70)84-30-36-109-105(58-84)98-22-12-14-24-107(98)125(109)115-66-123-67-116(119(115)90-20-16-18-81(54-90)64-121)126-108-25-15-13-23-99(108)106-59-85(31-37-110(106)126)96-51-78(9)42-83(56-96)57-104-79(10)52-97(53-80(104)11)89-29-35-103-102-34-28-88(95-49-76(7)41-77(8)50-95)62-113(102)128(114(103)63-89)118-69-124-68-117(120(118)91-21-17-19-82(55-91)65-122)127-111-60-86(93-45-72(3)39-73(4)46-93)26-32-100(111)101-33-27-87(61-112(101)127)94-47-74(5)40-75(6)48-94/h12-56,58-63,66-69H,57H2,1-11H3.
What are the key properties of 3-[3-[3-[3-[[4-[9-[5-[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)-3-pyridinyl]-7-(3,5-dimethylphenyl)carbazol-2-yl]-2,6-dimethylphenyl]methyl]-5-methylphenyl]carbazol-9-yl]-5-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
3-[3-[3-[3-[[4-[9-[5-[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)-3-pyridinyl]-7-(3,5-dimethylphenyl)carbazol-2-yl]-2,6-dimethylphenyl]methyl]-5-methylphenyl]carbazol-9-yl]-5-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile has a molecular weight of 1644.10 g/mol, XLogP of 30.93, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-[3-[[4-[9-[5-[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)-3-pyridinyl]-7-(3,5-dimethylphenyl)carbazol-2-yl]-2,6-dimethylphenyl]methyl]-5-methylphenyl]carbazol-9-yl]-5-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile is sourced from PubChem (CID 146543848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).