6-[6-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]pyridine-3-carbonitrile

C35H22N4 — CID 118543569

IUPAC6-[6-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2cccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)n2)nc1
InChIInChI=1S/C35H22N4/c36-22-24-14-17-31(37-23-24)32-12-7-13-35(38-32)39-33-18-15-27(25-8-3-1-4-9-25)20-29(33)30-21-28(16-19-34(30)39)26-10-5-2-6-11-26/h1-21,23H
InChIKeyZWKLKRUCINWNCN-UHFFFAOYSA-N
MW498.59 g/mol
LogP8.45
Rot. Bonds4

About 6-[6-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]pyridine-3-carbonitrile

6-[6-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]pyridine-3-carbonitrile (PubChem CID 118543569) has the molecular formula C35H22N4 and a molecular weight of 498.59 g/mol. Its IUPAC name is 6-[6-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[6-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]pyridine-3-carbonitrile
PubChem CID118543569
Molecular FormulaC35H22N4
Molecular Weight498.59 g/mol
Exact Mass498.18
IUPAC Name6-[6-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2cccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)n2)nc1
InChIInChI=1S/C35H22N4/c36-22-24-14-17-31(37-23-24)32-12-7-13-35(38-32)39-33-18-15-27(25-8-3-1-4-9-25)20-29(33)30-21-28(16-19-34(30)39)26-10-5-2-6-11-26/h1-21,23H
InChIKeyZWKLKRUCINWNCN-UHFFFAOYSA-N
XLogP8.45
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.59
LogP ≤ 58.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[6-(3,6-diphenylcarbazol-9-yl)-4-phenyl-2-pyridinyl]benzonitrile
CID 118543563
9-[6-[4-carbazol-9-yl-6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-3-phenylcarbazole
CID 165167529
3,5-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)benzonitrile
CID 147296748
2,6-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile
CID 155216592
4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile
CID 118632433
9-[3-(5-cyano-2-pyridinyl)phenyl]carbazole-3-carbonitrile
CID 146543206
9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile
CID 118650226
3,5-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134321349
3-[3-(9-phenylcarbazol-3-yl)phenyl]-9-(6-phenyl-2-pyridinyl)carbazole
CID 126764108
9-[6-[2-[4-(6-carbazol-9-yl-2-pyridinyl)-6-phenylpyrimidin-2-yl]-6-phenylpyrimidin-4-yl]-2-pyridinyl]carbazole
CID 59500751
9-(6-dibenzothiophen-2-yl-2-pyridinyl)-3,6-diphenylcarbazole
CID 132552465
3-(3,6-diphenylcarbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)benzonitrile
CID 155014674

Frequently Asked Questions

What is the IUPAC name of 6-[6-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]pyridine-3-carbonitrile?
The IUPAC name of 6-[6-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]pyridine-3-carbonitrile (CID 118543569) is 6-[6-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[6-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[6-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]pyridine-3-carbonitrile is N#Cc1ccc(-c2cccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)n2)nc1.
What is the InChIKey of 6-[6-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]pyridine-3-carbonitrile?
The InChIKey is ZWKLKRUCINWNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22N4/c36-22-24-14-17-31(37-23-24)32-12-7-13-35(38-32)39-33-18-15-27(25-8-3-1-4-9-25)20-29(33)30-21-28(16-19-34(30)39)26-10-5-2-6-11-26/h1-21,23H.
What are the key properties of 6-[6-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]pyridine-3-carbonitrile?
6-[6-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]pyridine-3-carbonitrile has a molecular weight of 498.59 g/mol, XLogP of 8.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]pyridine-3-carbonitrile is sourced from PubChem (CID 118543569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).