2-[3,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile

C52H38N4 — CID 146543797

IUPAC2-[3,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
SMILESCc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cncc(-n3c4ccccc4c4cc(-c5ccc(C)cc5C)ccc43)c2-c2ccccc2C#N)c(C)c1
InChIInChI=1S/C52H38N4/c1-32-17-21-39(34(3)25-32)36-19-23-48-44(27-36)42-13-7-9-15-46(42)55(48)50-30-54-31-51(52(50)41-12-6-5-11-38(41)29-53)56-47-16-10-8-14-43(47)45-28-37(20-24-49(45)56)40-22-18-33(2)26-35(40)4/h5-28,30-31H,1-4H3
InChIKeyQNRSVOAYLVLBNW-UHFFFAOYSA-N
MW718.90 g/mol
LogP13.38
Rot. Bonds5

About 2-[3,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile

2-[3,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile (PubChem CID 146543797) has the molecular formula C52H38N4 and a molecular weight of 718.90 g/mol. Its IUPAC name is 2-[3,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile.

Molecular Properties

Compound Name2-[3,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
PubChem CID146543797
Molecular FormulaC52H38N4
Molecular Weight718.90 g/mol
Exact Mass718.31
IUPAC Name2-[3,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
SMILESCc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cncc(-n3c4ccccc4c4cc(-c5ccc(C)cc5C)ccc43)c2-c2ccccc2C#N)c(C)c1
InChIInChI=1S/C52H38N4/c1-32-17-21-39(34(3)25-32)36-19-23-48-44(27-36)42-13-7-9-15-46(42)55(48)50-30-54-31-51(52(50)41-12-6-5-11-38(41)29-53)56-47-16-10-8-14-43(47)45-28-37(20-24-49(45)56)40-22-18-33(2)26-35(40)4/h5-28,30-31H,1-4H3
InChIKeyQNRSVOAYLVLBNW-UHFFFAOYSA-N
XLogP13.38
TPSA46.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.90
LogP ≤ 513.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3,5-bis[3-(2-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 142452378
2-[3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544406
4-[3,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;4-[3,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;4-[3,5-bis[2-(4-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 160846267
2-[3-[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-[2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 139496163
4-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-methyl-2-pyridin-4-ylbenzonitrile
CID 138565529
2-[3,5-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544225
2,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 138729264
2-[3-(2-cyanophenyl)-2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 155447179
2-[3-(5-cyanopyrimidin-2-yl)-4-[3-(2,4-dimethylphenyl)carbazol-9-yl]phenyl]pyrimidine-5-carbonitrile
CID 171607162
2-[3,5-bis(2-tert-butylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 146544402
2,5-bis[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 138729257
4-[2-cyano-6-(trifluoromethyl)phenyl]-3,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile
CID 137382195

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
The IUPAC name of 2-[3,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile (CID 146543797) is 2-[3,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile.
What is the SMILES notation for 2-[3,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
The canonical SMILES for 2-[3,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile is Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cncc(-n3c4ccccc4c4cc(-c5ccc(C)cc5C)ccc43)c2-c2ccccc2C#N)c(C)c1.
What is the InChIKey of 2-[3,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
The InChIKey is QNRSVOAYLVLBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N4/c1-32-17-21-39(34(3)25-32)36-19-23-48-44(27-36)42-13-7-9-15-46(42)55(48)50-30-54-31-51(52(50)41-12-6-5-11-38(41)29-53)56-47-16-10-8-14-43(47)45-28-37(20-24-49(45)56)40-22-18-33(2)26-35(40)4/h5-28,30-31H,1-4H3.
What are the key properties of 2-[3,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
2-[3,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile has a molecular weight of 718.90 g/mol, XLogP of 13.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile is sourced from PubChem (CID 146543797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).