5-[6-(7,9-diphenylcarbazol-2-yl)-2-pyridinyl]pyridine-3-carbonitrile

C35H22N4 — CID 118397427

IUPAC5-[6-(7,9-diphenylcarbazol-2-yl)-2-pyridinyl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2cccc(-c3ccc4c5ccc(-c6ccccc6)cc5n(-c5ccccc5)c4c3)n2)c1
InChIInChI=1S/C35H22N4/c36-21-24-18-28(23-37-22-24)33-13-7-12-32(38-33)27-15-17-31-30-16-14-26(25-8-3-1-4-9-25)19-34(30)39(35(31)20-27)29-10-5-2-6-11-29/h1-20,22-23H
InChIKeyUGKUTYBYSIJXKY-UHFFFAOYSA-N
MW498.59 g/mol
LogP8.45
Rot. Bonds4

About 5-[6-(7,9-diphenylcarbazol-2-yl)-2-pyridinyl]pyridine-3-carbonitrile

5-[6-(7,9-diphenylcarbazol-2-yl)-2-pyridinyl]pyridine-3-carbonitrile (PubChem CID 118397427) has the molecular formula C35H22N4 and a molecular weight of 498.59 g/mol. Its IUPAC name is 5-[6-(7,9-diphenylcarbazol-2-yl)-2-pyridinyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[6-(7,9-diphenylcarbazol-2-yl)-2-pyridinyl]pyridine-3-carbonitrile
PubChem CID118397427
Molecular FormulaC35H22N4
Molecular Weight498.59 g/mol
Exact Mass498.18
IUPAC Name5-[6-(7,9-diphenylcarbazol-2-yl)-2-pyridinyl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2cccc(-c3ccc4c5ccc(-c6ccccc6)cc5n(-c5ccccc5)c4c3)n2)c1
InChIInChI=1S/C35H22N4/c36-21-24-18-28(23-37-22-24)33-13-7-12-32(38-33)27-15-17-31-30-16-14-26(25-8-3-1-4-9-25)19-34(30)39(35(31)20-27)29-10-5-2-6-11-29/h1-20,22-23H
InChIKeyUGKUTYBYSIJXKY-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

5-[6-(7-phenyldibenzothiophen-3-yl)-2-pyridinyl]pyridine-3-carbonitrile
CID 118397898
5-[3-[9-[3-(5-cyano-3-pyridinyl)phenyl]-7-phenylbenzo[c]carbazol-5-yl]phenyl]pyridine-3-carbonitrile
CID 118397718
5-[4-[5-[4-(5-cyano-3-pyridinyl)phenyl]-7-phenylbenzo[g]carbazol-9-yl]phenyl]pyridine-3-carbonitrile
CID 118397694
2,6-bis[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
CID 155377637
2,6-bis(2,7-diphenylcarbazol-9-yl)-4-(6-phenyl-2-pyridinyl)benzonitrile
CID 155216709
3-[6-[3-carbazol-9-yl-5-(9-phenylcarbazol-3-yl)phenyl]-2-pyridinyl]benzonitrile
CID 126610495
9-[3-[6-(3-cyanophenyl)-2-pyridinyl]-5-(9-phenylcarbazol-3-yl)phenyl]carbazole-3,6-dicarbonitrile
CID 126610498
5-(6-dibenzothiophen-3-yl-2-pyridinyl)pyridine-3-carbonitrile
CID 118397385
3-[3-(2-naphthalen-2-ylcarbazol-9-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile
CID 140922166
2-[3-(6,9-diphenylcarbazol-3-yl)phenyl]pyridine-4-carbonitrile;4-[3-(6,9-diphenylcarbazol-3-yl)phenyl]pyridine-2-carbonitrile;5-[3-(6,9-diphenylcarbazol-3-yl)phenyl]pyridine-3-carbonitrile
CID 162039390
5-[6-[8-[6-(5-cyano-3-pyridinyl)-2-pyridinyl]dibenzothiophen-2-yl]-2-pyridinyl]pyridine-3-carbonitrile
CID 118397758
3-(9-phenylcarbazol-2-yl)-9-[3-(6-triphenylen-2-yl-2-pyridinyl)phenyl]carbazole
CID 118509091

Frequently Asked Questions

What is the IUPAC name of 5-[6-(7,9-diphenylcarbazol-2-yl)-2-pyridinyl]pyridine-3-carbonitrile?
The IUPAC name of 5-[6-(7,9-diphenylcarbazol-2-yl)-2-pyridinyl]pyridine-3-carbonitrile (CID 118397427) is 5-[6-(7,9-diphenylcarbazol-2-yl)-2-pyridinyl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[6-(7,9-diphenylcarbazol-2-yl)-2-pyridinyl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[6-(7,9-diphenylcarbazol-2-yl)-2-pyridinyl]pyridine-3-carbonitrile is N#Cc1cncc(-c2cccc(-c3ccc4c5ccc(-c6ccccc6)cc5n(-c5ccccc5)c4c3)n2)c1.
What is the InChIKey of 5-[6-(7,9-diphenylcarbazol-2-yl)-2-pyridinyl]pyridine-3-carbonitrile?
The InChIKey is UGKUTYBYSIJXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22N4/c36-21-24-18-28(23-37-22-24)33-13-7-12-32(38-33)27-15-17-31-30-16-14-26(25-8-3-1-4-9-25)19-34(30)39(35(31)20-27)29-10-5-2-6-11-29/h1-20,22-23H.
What are the key properties of 5-[6-(7,9-diphenylcarbazol-2-yl)-2-pyridinyl]pyridine-3-carbonitrile?
5-[6-(7,9-diphenylcarbazol-2-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 5-[6-(7,9-diphenylcarbazol-2-yl)-2-pyridinyl]pyridine-3-carbonitrile is sourced from PubChem (CID 118397427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).