9-[3-[2-(5-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile

C31H18N4 — CID 146542679

IUPAC9-[3-[2-(5-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile
SMILESN#Cc1cncc(-c2ccccc2-c2cccc(-n3c4ccccc4c4cc(C#N)ccc43)c2)c1
InChIInChI=1S/C31H18N4/c32-17-21-12-13-31-29(15-21)28-10-3-4-11-30(28)35(31)25-7-5-6-23(16-25)26-8-1-2-9-27(26)24-14-22(18-33)19-34-20-24/h1-16,19-20H
InChIKeyMOYKXZHKDIKVAJ-UHFFFAOYSA-N
MW446.51 g/mol
LogP7.26
Rot. Bonds3

About 9-[3-[2-(5-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile

9-[3-[2-(5-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile (PubChem CID 146542679) has the molecular formula C31H18N4 and a molecular weight of 446.51 g/mol. Its IUPAC name is 9-[3-[2-(5-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[3-[2-(5-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile
PubChem CID146542679
Molecular FormulaC31H18N4
Molecular Weight446.51 g/mol
Exact Mass446.15
IUPAC Name9-[3-[2-(5-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile
SMILESN#Cc1cncc(-c2ccccc2-c2cccc(-n3c4ccccc4c4cc(C#N)ccc43)c2)c1
InChIInChI=1S/C31H18N4/c32-17-21-12-13-31-29(15-21)28-10-3-4-11-30(28)35(31)25-7-5-6-23(16-25)26-8-1-2-9-27(26)24-14-22(18-33)19-34-20-24/h1-16,19-20H
InChIKeyMOYKXZHKDIKVAJ-UHFFFAOYSA-N
XLogP7.26
TPSA65.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.51
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[3-[2-(4-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile
CID 146542671
9-[3-carbazol-9-yl-5-[2-[2-[2-(3-cyanophenyl)phenyl]phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 121312489
9-[3-[2-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 157137099
9-[3-[2-(2-carbazol-9-yl-5-cyanophenyl)-4-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155080892
9-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 118650216
9-[3-cyano-5-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]carbazole-3-carbonitrile
CID 139574980
5-[2-(3-carbazol-9-ylphenyl)phenyl]-4-(3-cyanocarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 155080872
9-[3-[4-(3-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 154958752
9-[3-(5-cyano-2-pyridinyl)phenyl]carbazole-3-carbonitrile
CID 146543206
5-[3,5-di(carbazol-9-yl)phenyl]pyridine-3-carbonitrile
CID 132545702
3-[2-(3-carbazol-9-ylphenyl)phenyl]-4-(3-cyanocarbazol-9-yl)benzene-1,2-dicarbonitrile
CID 155081614
9-[2-[3-(3-carbazol-9-ylphenyl)-2-cyanophenyl]-4-cyanophenyl]carbazole-3-carbonitrile
CID 155080249

Frequently Asked Questions

What is the IUPAC name of 9-[3-[2-(5-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile?
The IUPAC name of 9-[3-[2-(5-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile (CID 146542679) is 9-[3-[2-(5-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[3-[2-(5-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[3-[2-(5-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile is N#Cc1cncc(-c2ccccc2-c2cccc(-n3c4ccccc4c4cc(C#N)ccc43)c2)c1.
What is the InChIKey of 9-[3-[2-(5-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile?
The InChIKey is MOYKXZHKDIKVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H18N4/c32-17-21-12-13-31-29(15-21)28-10-3-4-11-30(28)35(31)25-7-5-6-23(16-25)26-8-1-2-9-27(26)24-14-22(18-33)19-34-20-24/h1-16,19-20H.
What are the key properties of 9-[3-[2-(5-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile?
9-[3-[2-(5-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile has a molecular weight of 446.51 g/mol, XLogP of 7.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[2-(5-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 146542679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).