4-[3,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile

C48H30N4 — CID 146546484

IUPAC4-[3,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile
SMILESN#Cc1ccc(-c2c(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)cncc2-n2c3ccccc3c3cc(-c4ccccc4)ccc32)cc1
InChIInChI=1S/C48H30N4/c49-29-32-19-21-35(22-20-32)48-46(51-42-17-9-7-15-38(42)40-27-36(23-25-44(40)51)33-11-3-1-4-12-33)30-50-31-47(48)52-43-18-10-8-16-39(43)41-28-37(24-26-45(41)52)34-13-5-2-6-14-34/h1-28,30-31H
InChIKeyYASOETWHOGKULC-UHFFFAOYSA-N
MW662.80 g/mol
LogP12.15
Rot. Bonds5

About 4-[3,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile

4-[3,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile (PubChem CID 146546484) has the molecular formula C48H30N4 and a molecular weight of 662.80 g/mol. Its IUPAC name is 4-[3,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-[3,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile
PubChem CID146546484
Molecular FormulaC48H30N4
Molecular Weight662.80 g/mol
Exact Mass662.25
IUPAC Name4-[3,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile
SMILESN#Cc1ccc(-c2c(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)cncc2-n2c3ccccc3c3cc(-c4ccccc4)ccc32)cc1
InChIInChI=1S/C48H30N4/c49-29-32-19-21-35(22-20-32)48-46(51-42-17-9-7-15-38(42)40-27-36(23-25-44(40)51)33-11-3-1-4-12-33)30-50-31-47(48)52-43-18-10-8-16-39(43)41-28-37(24-26-45(41)52)34-13-5-2-6-14-34/h1-28,30-31H
InChIKeyYASOETWHOGKULC-UHFFFAOYSA-N
XLogP12.15
TPSA46.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.80
LogP ≤ 512.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile;4-[3,5-bis(2,7-diphenylcarbazol-9-yl)-4-pyridinyl]benzonitrile;4-[3,5-bis(2-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile;4-[3,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 159435033
4-[3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544354
4-[3,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile
CID 166759136
4-[3,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544200
4-[3,5-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544365
3-[3,5-bis[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544144
4-[3,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;4-[3,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;4-[3,5-bis[2-(4-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 160846267
4-[3-(4-cyanophenyl)-2,4,6-tris(3,6-diphenylcarbazol-9-yl)phenyl]benzonitrile
CID 138675036
4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 129065173
3-[3-[2-(4-cyanophenyl)carbazol-9-yl]-5-[2-(4-isocyanophenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 153486386
4-[3,5-bis(2-pyrimidin-2-ylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 142452373
4-[3,5-bis[2,7-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;4-[3,5-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;4-[3,5-bis[2-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 165071052

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile?
The IUPAC name of 4-[3,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile (CID 146546484) is 4-[3,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile.
What is the SMILES notation for 4-[3,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile?
The canonical SMILES for 4-[3,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile is N#Cc1ccc(-c2c(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)cncc2-n2c3ccccc3c3cc(-c4ccccc4)ccc32)cc1.
What is the InChIKey of 4-[3,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile?
The InChIKey is YASOETWHOGKULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N4/c49-29-32-19-21-35(22-20-32)48-46(51-42-17-9-7-15-38(42)40-27-36(23-25-44(40)51)33-11-3-1-4-12-33)30-50-31-47(48)52-43-18-10-8-16-39(43)41-28-37(24-26-45(41)52)34-13-5-2-6-14-34/h1-28,30-31H.
What are the key properties of 4-[3,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile?
4-[3,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile has a molecular weight of 662.80 g/mol, XLogP of 12.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile is sourced from PubChem (CID 146546484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).