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

C52H38N4 — CID 146543732

IUPAC4-[2,5-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
SMILESCc1cc(C)cc(-c2ccc3c4ccccc4n(-c4cc(-c5ccc(C#N)cc5)c(-n5c6ccccc6c6ccc(-c7cc(C)cc(C)c7)cc65)cn4)c3c2)c1
InChIInChI=1S/C52H38N4/c1-32-21-33(2)24-40(23-32)38-17-19-44-42-9-5-7-11-47(42)55(49(44)27-38)51-31-54-52(29-46(51)37-15-13-36(30-53)14-16-37)56-48-12-8-6-10-43(48)45-20-18-39(28-50(45)56)41-25-34(3)22-35(4)26-41/h5-29,31H,1-4H3
InChIKeyBZMUYSATDURNPW-UHFFFAOYSA-N
MW718.90 g/mol
LogP13.38
Rot. Bonds5

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

4-[2,5-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile (PubChem CID 146543732) has the molecular formula C52H38N4 and a molecular weight of 718.90 g/mol. Its IUPAC name is 4-[2,5-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-[2,5-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
PubChem CID146543732
Molecular FormulaC52H38N4
Molecular Weight718.90 g/mol
Exact Mass718.31
IUPAC Name4-[2,5-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
SMILESCc1cc(C)cc(-c2ccc3c4ccccc4n(-c4cc(-c5ccc(C#N)cc5)c(-n5c6ccccc6c6ccc(-c7cc(C)cc(C)c7)cc65)cn4)c3c2)c1
InChIInChI=1S/C52H38N4/c1-32-21-33(2)24-40(23-32)38-17-19-44-42-9-5-7-11-47(42)55(49(44)27-38)51-31-54-52(29-46(51)37-15-13-36(30-53)14-16-37)56-48-12-8-6-10-43(48)45-20-18-39(28-50(45)56)41-25-34(3)22-35(4)26-41/h5-29,31H,1-4H3
InChIKeyBZMUYSATDURNPW-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

4-[2,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146546432
4-[2-[3-(4-methylphenyl)carbazol-9-yl]-5-(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 146543862
2-[9-[4-(4-cyanophenyl)-5-[2-(2-cyanophenyl)carbazol-9-yl]-2-pyridinyl]carbazol-2-yl]benzonitrile
CID 142452311
4-[9-[5-[2,7-bis(4-cyanophenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-7-(4-cyanophenyl)carbazol-2-yl]benzonitrile
CID 146393827
4-[2,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 146546458
2-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile;4-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 158854072
4-[2,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544317
3-[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
CID 134476151
4-[2,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-pyridinyl]benzonitrile
CID 146546450
3-[9-[5-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-4-(4-cyanophenyl)-2-pyridinyl]-6-(3-cyanophenyl)carbazol-3-yl]benzonitrile
CID 142452279
4-[2,5-bis[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146543869
3-[2,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[2,5-bis(2,7-diphenylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(2-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 159913359

Frequently Asked Questions

What is the IUPAC name of 4-[2,5-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
The IUPAC name of 4-[2,5-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile (CID 146543732) is 4-[2,5-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile.
What is the SMILES notation for 4-[2,5-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
The canonical SMILES for 4-[2,5-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile is Cc1cc(C)cc(-c2ccc3c4ccccc4n(-c4cc(-c5ccc(C#N)cc5)c(-n5c6ccccc6c6ccc(-c7cc(C)cc(C)c7)cc65)cn4)c3c2)c1.
What is the InChIKey of 4-[2,5-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
The InChIKey is BZMUYSATDURNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N4/c1-32-21-33(2)24-40(23-32)38-17-19-44-42-9-5-7-11-47(42)55(49(44)27-38)51-31-54-52(29-46(51)37-15-13-36(30-53)14-16-37)56-48-12-8-6-10-43(48)45-20-18-39(28-50(45)56)41-25-34(3)22-35(4)26-41/h5-29,31H,1-4H3.
What are the key properties of 4-[2,5-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
4-[2,5-bis[2-(3,5-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 4-[2,5-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile is sourced from PubChem (CID 146543732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).