4-(1-phenylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile

C30H19N3 — CID 138566326

IUPAC4-(1-phenylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3cccc(-c4ccccc4)c32)cc1-c1ccncc1
InChIInChI=1S/C30H19N3/c31-20-23-13-14-24(19-28(23)22-15-17-32-18-16-22)33-29-12-5-4-9-26(29)27-11-6-10-25(30(27)33)21-7-2-1-3-8-21/h1-19H
InChIKeyXQUZDBNIUKIJGK-UHFFFAOYSA-N
MW421.50 g/mol
LogP7.38
Rot. Bonds3

About 4-(1-phenylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile

4-(1-phenylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile (PubChem CID 138566326) has the molecular formula C30H19N3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 4-(1-phenylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile.

Molecular Properties

Compound Name4-(1-phenylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile
PubChem CID138566326
Molecular FormulaC30H19N3
Molecular Weight421.50 g/mol
Exact Mass421.16
IUPAC Name4-(1-phenylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3cccc(-c4ccccc4)c32)cc1-c1ccncc1
InChIInChI=1S/C30H19N3/c31-20-23-13-14-24(19-28(23)22-15-17-32-18-16-22)33-29-12-5-4-9-26(29)27-11-6-10-25(30(27)33)21-7-2-1-3-8-21/h1-19H
InChIKeyXQUZDBNIUKIJGK-UHFFFAOYSA-N
XLogP7.38
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.50
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(2-cyanophenyl)carbazol-9-yl]-5-phenyl-2-pyridin-4-ylbenzonitrile
CID 138565530
5-[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-phenyl-2-pyridin-4-ylbenzonitrile
CID 138566451
4-carbazol-9-yl-2-[3-(2-carbazol-9-ylphenyl)phenyl]benzonitrile
CID 155081408
4,5-bis(3-carbazol-9-ylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile
CID 134292574
3-[4-(3-carbazol-9-ylphenyl)phenyl]pyridine-4-carbonitrile
CID 146543439
9-[3-[5-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 148501028
3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]pyridine-4-carbonitrile
CID 146543110
4-(3,6-ditert-butylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile
CID 138565463
4-[9-(3-cyano-5-pyridin-4-ylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile
CID 138566416
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylcarbazole
CID 146491445
2-(9-phenylcarbazol-3-yl)-4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile
CID 122414489
4,5-bis[2-(2-cyanophenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
CID 134292618

Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile?
The IUPAC name of 4-(1-phenylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile (CID 138566326) is 4-(1-phenylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile.
What is the SMILES notation for 4-(1-phenylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile?
The canonical SMILES for 4-(1-phenylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile is N#Cc1ccc(-n2c3ccccc3c3cccc(-c4ccccc4)c32)cc1-c1ccncc1.
What is the InChIKey of 4-(1-phenylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile?
The InChIKey is XQUZDBNIUKIJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19N3/c31-20-23-13-14-24(19-28(23)22-15-17-32-18-16-22)33-29-12-5-4-9-26(29)27-11-6-10-25(30(27)33)21-7-2-1-3-8-21/h1-19H.
What are the key properties of 4-(1-phenylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile?
4-(1-phenylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile has a molecular weight of 421.50 g/mol, XLogP of 7.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile is sourced from PubChem (CID 138566326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).