4-[3-[2,6-di(carbazol-9-yl)-4-pyridinyl]phenyl]benzonitrile

C42H26N4 — CID 121312512

IUPAC4-[3-[2,6-di(carbazol-9-yl)-4-pyridinyl]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2cccc(-c3cc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)c3)c2)cc1
InChIInChI=1S/C42H26N4/c43-27-28-20-22-29(23-21-28)30-10-9-11-31(24-30)32-25-41(45-37-16-5-1-12-33(37)34-13-2-6-17-38(34)45)44-42(26-32)46-39-18-7-3-14-35(39)36-15-4-8-19-40(36)46/h1-26H
InChIKeyWRAMRKMQALGKMK-UHFFFAOYSA-N
MW586.70 g/mol
LogP10.48
Rot. Bonds4

About 4-[3-[2,6-di(carbazol-9-yl)-4-pyridinyl]phenyl]benzonitrile

4-[3-[2,6-di(carbazol-9-yl)-4-pyridinyl]phenyl]benzonitrile (PubChem CID 121312512) has the molecular formula C42H26N4 and a molecular weight of 586.70 g/mol. Its IUPAC name is 4-[3-[2,6-di(carbazol-9-yl)-4-pyridinyl]phenyl]benzonitrile.

Molecular Properties

Compound Name4-[3-[2,6-di(carbazol-9-yl)-4-pyridinyl]phenyl]benzonitrile
PubChem CID121312512
Molecular FormulaC42H26N4
Molecular Weight586.70 g/mol
Exact Mass586.22
IUPAC Name4-[3-[2,6-di(carbazol-9-yl)-4-pyridinyl]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2cccc(-c3cc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)c3)c2)cc1
InChIInChI=1S/C42H26N4/c43-27-28-20-22-29(23-21-28)30-10-9-11-31(24-30)32-25-41(45-37-16-5-1-12-33(37)34-13-2-6-17-38(34)45)44-42(26-32)46-39-18-7-3-14-35(39)36-15-4-8-19-40(36)46/h1-26H
InChIKeyWRAMRKMQALGKMK-UHFFFAOYSA-N
XLogP10.48
TPSA46.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.70
LogP ≤ 510.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[6-carbazol-9-yl-4-[3-(3-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile
CID 121312485
9-[6-carbazol-9-yl-4-(4-cyanophenyl)-2-pyridinyl]carbazole-3-carbonitrile;9-[6-carbazol-9-yl-4-(2-cyanophenyl)-2-pyridinyl]carbazole-3,6-dicarbonitrile;9-[6-carbazol-9-yl-4-(3-cyanophenyl)-2-pyridinyl]carbazole-3,6-dicarbonitrile;9-[6-carbazol-9-yl-4-(4-cyanophenyl)-2-pyridinyl]carbazole-3,6-dicarbonitrile
CID 165039885
9-[6-carbazol-9-yl-4-[3-(2-isocyanophenyl)phenyl]-2-pyridinyl]carbazole;9-[6-carbazol-9-yl-4-[3-(2-isocyanophenyl)phenyl]-2-pyridinyl]carbazole-3-carbonitrile;3-[3-[2,6-di(carbazol-9-yl)-4-pyridinyl]phenyl]benzonitrile;4-[3-[2,6-di(carbazol-9-yl)-4-pyridinyl]phenyl]benzonitrile
CID 159495222
4-[6-(3,6-diphenylcarbazol-9-yl)-4-phenyl-2-pyridinyl]benzonitrile
CID 118543563
9-[6-carbazol-9-yl-4-[2-(4-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile
CID 121312324
9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile
CID 118650226
9-[6-carbazol-9-yl-4-[6-(3-cyanophenyl)-2-pyridinyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile;9-[6-carbazol-9-yl-4-[6-(4-cyanophenyl)-2-pyridinyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile;9-[6-carbazol-9-yl-4-[3-(2-isocyanophenyl)phenyl]-2-pyridinyl]carbazole-3-carbonitrile
CID 158004247
9-[6-carbazol-9-yl-4-[2-(2-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3-carbonitrile;9-[6-carbazol-9-yl-4-[2-(3-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3-carbonitrile;9-[6-carbazol-9-yl-4-[2-(4-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3-carbonitrile;9-[6-carbazol-9-yl-4-[2-(2-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile
CID 158469733
9-[6-carbazol-9-yl-4-(3-methylphenyl)-2-pyridinyl]carbazole
CID 156574202
9-[6-[6-[6-[6-carbazol-9-yl-4-(3-phenylphenyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-4-(3-phenylphenyl)-2-pyridinyl]carbazole
CID 165167516
4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 129065173
6-[4-[3-[4-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]isoquinoline;4-[6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(3-phenylphenyl)pyrimidin-4-yl]benzonitrile;4-[6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)pyrimidin-4-yl]benzonitrile;9-[2-phenyl-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrimidin-4-yl]carbazole;6-[2-phenyl-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrimidin-4-yl]isoquinoline
CID 163467954

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2,6-di(carbazol-9-yl)-4-pyridinyl]phenyl]benzonitrile?
The IUPAC name of 4-[3-[2,6-di(carbazol-9-yl)-4-pyridinyl]phenyl]benzonitrile (CID 121312512) is 4-[3-[2,6-di(carbazol-9-yl)-4-pyridinyl]phenyl]benzonitrile.
What is the SMILES notation for 4-[3-[2,6-di(carbazol-9-yl)-4-pyridinyl]phenyl]benzonitrile?
The canonical SMILES for 4-[3-[2,6-di(carbazol-9-yl)-4-pyridinyl]phenyl]benzonitrile is N#Cc1ccc(-c2cccc(-c3cc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)c3)c2)cc1.
What is the InChIKey of 4-[3-[2,6-di(carbazol-9-yl)-4-pyridinyl]phenyl]benzonitrile?
The InChIKey is WRAMRKMQALGKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N4/c43-27-28-20-22-29(23-21-28)30-10-9-11-31(24-30)32-25-41(45-37-16-5-1-12-33(37)34-13-2-6-17-38(34)45)44-42(26-32)46-39-18-7-3-14-35(39)36-15-4-8-19-40(36)46/h1-26H.
What are the key properties of 4-[3-[2,6-di(carbazol-9-yl)-4-pyridinyl]phenyl]benzonitrile?
4-[3-[2,6-di(carbazol-9-yl)-4-pyridinyl]phenyl]benzonitrile has a molecular weight of 586.70 g/mol, XLogP of 10.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2,6-di(carbazol-9-yl)-4-pyridinyl]phenyl]benzonitrile is sourced from PubChem (CID 121312512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).