3-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(10-phenylanthracen-9-yl)benzonitrile

C51H32N2 — CID 167336584

IUPAC3-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(10-phenylanthracen-9-yl)benzonitrile
SMILESN#Cc1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c(-c2ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc2)c1
InChIInChI=1S/C51H32N2/c52-33-34-25-30-46(51-44-21-6-4-19-42(44)50(37-13-2-1-3-14-37)43-20-5-7-22-45(43)51)47(31-34)36-28-26-35(27-29-36)38-15-12-16-39(32-38)53-48-23-10-8-17-40(48)41-18-9-11-24-49(41)53/h1-32H
InChIKeyAFGFXHZRMINZKQ-UHFFFAOYSA-N
MW672.83 g/mol
LogP13.63
Rot. Bonds5

About 3-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(10-phenylanthracen-9-yl)benzonitrile

3-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(10-phenylanthracen-9-yl)benzonitrile (PubChem CID 167336584) has the molecular formula C51H32N2 and a molecular weight of 672.83 g/mol. Its IUPAC name is 3-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(10-phenylanthracen-9-yl)benzonitrile.

Molecular Properties

Compound Name3-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(10-phenylanthracen-9-yl)benzonitrile
PubChem CID167336584
Molecular FormulaC51H32N2
Molecular Weight672.83 g/mol
Exact Mass672.26
IUPAC Name3-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(10-phenylanthracen-9-yl)benzonitrile
SMILESN#Cc1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c(-c2ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc2)c1
InChIInChI=1S/C51H32N2/c52-33-34-25-30-46(51-44-21-6-4-19-42(44)50(37-13-2-1-3-14-37)43-20-5-7-22-45(43)51)47(31-34)36-28-26-35(27-29-36)38-15-12-16-39(32-38)53-48-23-10-8-17-40(48)41-18-9-11-24-49(41)53/h1-32H
InChIKeyAFGFXHZRMINZKQ-UHFFFAOYSA-N
XLogP13.63
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.83
LogP ≤ 513.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4-[2-(3-carbazol-9-ylphenyl)phenyl]-3-(10-phenylanthracen-9-yl)benzonitrile
CID 167336438
9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]carbazole-2-carbonitrile
CID 155079719
3-(3-carbazol-9-ylphenyl)-6-(10-phenylanthracen-9-yl)benzene-1,2-dicarbonitrile
CID 167336318
3-carbazol-9-yl-2-[2-(3-carbazol-9-ylphenyl)-4-cyanophenyl]benzonitrile
CID 155080464
9-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]carbazole
CID 161402260
9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole;9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]carbazole
CID 159418617
4-[4-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 126747004
9-[3-cyano-5-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 167336187
9-[3-[2-cyano-5-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 167336223
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile
CID 159170044
3-carbazol-9-yl-9-[3-(2,4,6-triphenylphenyl)phenyl]carbazole;3,6-dimethyl-9-[9-[3-(2,4,6-triphenylphenyl)phenyl]carbazol-3-yl]carbazole;9-[9-[3-(2,4,6-triphenylphenyl)phenyl]carbazol-3-yl]carbazole-3-carbonitrile
CID 164993566
9-[2-[2-(3-carbazol-9-ylphenyl)-4-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 155081062

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(10-phenylanthracen-9-yl)benzonitrile?
The IUPAC name of 3-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(10-phenylanthracen-9-yl)benzonitrile (CID 167336584) is 3-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(10-phenylanthracen-9-yl)benzonitrile.
What is the SMILES notation for 3-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(10-phenylanthracen-9-yl)benzonitrile?
The canonical SMILES for 3-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(10-phenylanthracen-9-yl)benzonitrile is N#Cc1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c(-c2ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc2)c1.
What is the InChIKey of 3-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(10-phenylanthracen-9-yl)benzonitrile?
The InChIKey is AFGFXHZRMINZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2/c52-33-34-25-30-46(51-44-21-6-4-19-42(44)50(37-13-2-1-3-14-37)43-20-5-7-22-45(43)51)47(31-34)36-28-26-35(27-29-36)38-15-12-16-39(32-38)53-48-23-10-8-17-40(48)41-18-9-11-24-49(41)53/h1-32H.
What are the key properties of 3-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(10-phenylanthracen-9-yl)benzonitrile?
3-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(10-phenylanthracen-9-yl)benzonitrile has a molecular weight of 672.83 g/mol, XLogP of 13.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(10-phenylanthracen-9-yl)benzonitrile is sourced from PubChem (CID 167336584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).