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

C42H27N3 — CID 118543563

IUPAC4-[6-(3,6-diphenylcarbazol-9-yl)-4-phenyl-2-pyridinyl]benzonitrile
SMILESN#Cc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)n2)cc1
InChIInChI=1S/C42H27N3/c43-28-29-16-18-33(19-17-29)39-26-36(32-14-8-3-9-15-32)27-42(44-39)45-40-22-20-34(30-10-4-1-5-11-30)24-37(40)38-25-35(21-23-41(38)45)31-12-6-2-7-13-31/h1-27H
InChIKeyFHURQPHXFBNERV-UHFFFAOYSA-N
MW573.70 g/mol
LogP10.72
Rot. Bonds5

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

4-[6-(3,6-diphenylcarbazol-9-yl)-4-phenyl-2-pyridinyl]benzonitrile (PubChem CID 118543563) has the molecular formula C42H27N3 and a molecular weight of 573.70 g/mol. Its IUPAC name is 4-[6-(3,6-diphenylcarbazol-9-yl)-4-phenyl-2-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-[6-(3,6-diphenylcarbazol-9-yl)-4-phenyl-2-pyridinyl]benzonitrile
PubChem CID118543563
Molecular FormulaC42H27N3
Molecular Weight573.70 g/mol
Exact Mass573.22
IUPAC Name4-[6-(3,6-diphenylcarbazol-9-yl)-4-phenyl-2-pyridinyl]benzonitrile
SMILESN#Cc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)n2)cc1
InChIInChI=1S/C42H27N3/c43-28-29-16-18-33(19-17-29)39-26-36(32-14-8-3-9-15-32)27-42(44-39)45-40-22-20-34(30-10-4-1-5-11-30)24-37(40)38-25-35(21-23-41(38)45)31-12-6-2-7-13-31/h1-27H
InChIKeyFHURQPHXFBNERV-UHFFFAOYSA-N
XLogP10.72
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.70
LogP ≤ 510.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(4-isocyanophenyl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-pyridinyl]benzonitrile
CID 140775805
9-[6-(3,6-diphenylcarbazol-9-yl)-4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-pyridinyl]-3,6-diphenylcarbazole
CID 150665244
3,5-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)benzonitrile
CID 147296748
3-[9-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-3-yl]-9-(4,6-diphenyl-2-pyridinyl)-6-phenylcarbazole
CID 88866629
4-[3-[2,6-di(carbazol-9-yl)-4-pyridinyl]phenyl]benzonitrile
CID 121312512
4-[3-(4-cyanophenyl)-2-(3,6-diphenylcarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile
CID 155446971
9-[6-(3,6-diphenylcarbazol-9-yl)-4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-pyridinyl]-3,6-diphenylcarbazole
CID 151530880
4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile
CID 118632433
3-(3,6-diphenylcarbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)benzonitrile
CID 155014674
5-[9-[3-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-cyano-2-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 146847580
6-[6-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]pyridine-3-carbonitrile
CID 118543569
3-[9-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-6-phenylcarbazol-3-yl]-6,9-diphenylcarbazole;3-(6,9-diphenylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)-6-phenylcarbazole;3-(6,9-diphenylcarbazol-3-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazole
CID 160750257

Frequently Asked Questions

What is the IUPAC name of 4-[6-(3,6-diphenylcarbazol-9-yl)-4-phenyl-2-pyridinyl]benzonitrile?
The IUPAC name of 4-[6-(3,6-diphenylcarbazol-9-yl)-4-phenyl-2-pyridinyl]benzonitrile (CID 118543563) is 4-[6-(3,6-diphenylcarbazol-9-yl)-4-phenyl-2-pyridinyl]benzonitrile.
What is the SMILES notation for 4-[6-(3,6-diphenylcarbazol-9-yl)-4-phenyl-2-pyridinyl]benzonitrile?
The canonical SMILES for 4-[6-(3,6-diphenylcarbazol-9-yl)-4-phenyl-2-pyridinyl]benzonitrile is N#Cc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)n2)cc1.
What is the InChIKey of 4-[6-(3,6-diphenylcarbazol-9-yl)-4-phenyl-2-pyridinyl]benzonitrile?
The InChIKey is FHURQPHXFBNERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N3/c43-28-29-16-18-33(19-17-29)39-26-36(32-14-8-3-9-15-32)27-42(44-39)45-40-22-20-34(30-10-4-1-5-11-30)24-37(40)38-25-35(21-23-41(38)45)31-12-6-2-7-13-31/h1-27H.
What are the key properties of 4-[6-(3,6-diphenylcarbazol-9-yl)-4-phenyl-2-pyridinyl]benzonitrile?
4-[6-(3,6-diphenylcarbazol-9-yl)-4-phenyl-2-pyridinyl]benzonitrile has a molecular weight of 573.70 g/mol, XLogP of 10.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3,6-diphenylcarbazol-9-yl)-4-phenyl-2-pyridinyl]benzonitrile is sourced from PubChem (CID 118543563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).