4-[2-(3-carbazol-9-ylphenyl)phenyl]-3-(10-phenylanthracen-9-yl)benzonitrile

C51H32N2 — CID 167336438

IUPAC4-[2-(3-carbazol-9-ylphenyl)phenyl]-3-(10-phenylanthracen-9-yl)benzonitrile
SMILESN#Cc1ccc(-c2ccccc2-c2cccc(-n3c4ccccc4c4ccccc43)c2)c(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c1
InChIInChI=1S/C51H32N2/c52-33-34-29-30-40(47(31-34)51-45-25-8-6-23-43(45)50(35-15-2-1-3-16-35)44-24-7-9-26-46(44)51)39-20-5-4-19-38(39)36-17-14-18-37(32-36)53-48-27-12-10-21-41(48)42-22-11-13-28-49(42)53/h1-32H
InChIKeyYHHWTSPVTRAULE-UHFFFAOYSA-N
MW672.83 g/mol
LogP13.63
Rot. Bonds5

About 4-[2-(3-carbazol-9-ylphenyl)phenyl]-3-(10-phenylanthracen-9-yl)benzonitrile

4-[2-(3-carbazol-9-ylphenyl)phenyl]-3-(10-phenylanthracen-9-yl)benzonitrile (PubChem CID 167336438) has the molecular formula C51H32N2 and a molecular weight of 672.83 g/mol. Its IUPAC name is 4-[2-(3-carbazol-9-ylphenyl)phenyl]-3-(10-phenylanthracen-9-yl)benzonitrile.

Molecular Properties

Compound Name4-[2-(3-carbazol-9-ylphenyl)phenyl]-3-(10-phenylanthracen-9-yl)benzonitrile
PubChem CID167336438
Molecular FormulaC51H32N2
Molecular Weight672.83 g/mol
Exact Mass672.26
IUPAC Name4-[2-(3-carbazol-9-ylphenyl)phenyl]-3-(10-phenylanthracen-9-yl)benzonitrile
SMILESN#Cc1ccc(-c2ccccc2-c2cccc(-n3c4ccccc4c4ccccc43)c2)c(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c1
InChIInChI=1S/C51H32N2/c52-33-34-29-30-40(47(31-34)51-45-25-8-6-23-43(45)50(35-15-2-1-3-16-35)44-24-7-9-26-46(44)51)39-20-5-4-19-38(39)36-17-14-18-37(32-36)53-48-27-12-10-21-41(48)42-22-11-13-28-49(42)53/h1-32H
InChIKeyYHHWTSPVTRAULE-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

3-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(10-phenylanthracen-9-yl)benzonitrile
CID 167336584
3-(3-carbazol-9-ylphenyl)-6-(10-phenylanthracen-9-yl)benzene-1,2-dicarbonitrile
CID 167336318
9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]carbazole-2-carbonitrile
CID 155080742
9-[3-[2-(2-carbazol-9-yl-5-cyanophenyl)-4-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155080892
9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-1-carbonitrile
CID 155080711
9-[5-cyano-2-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 167336467
9-[3-[2-cyano-5-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 167336223
9-[3-[2-(2-carbazol-9-ylphenyl)-5-cyanophenyl]phenyl]carbazole-2,6-dicarbonitrile
CID 155081672
5-[2-(3-carbazol-9-ylphenyl)phenyl]-4-(3-cyanocarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 155080872
3-carbazol-9-yl-2-[2-(3-carbazol-9-ylphenyl)-4-cyanophenyl]benzonitrile
CID 155080464
9-[3-[2-(5-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile
CID 146542679
9-[3-carbazol-9-yl-5-[2-[2-[2-(3-cyanophenyl)phenyl]phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 121312489

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-carbazol-9-ylphenyl)phenyl]-3-(10-phenylanthracen-9-yl)benzonitrile?
The IUPAC name of 4-[2-(3-carbazol-9-ylphenyl)phenyl]-3-(10-phenylanthracen-9-yl)benzonitrile (CID 167336438) is 4-[2-(3-carbazol-9-ylphenyl)phenyl]-3-(10-phenylanthracen-9-yl)benzonitrile.
What is the SMILES notation for 4-[2-(3-carbazol-9-ylphenyl)phenyl]-3-(10-phenylanthracen-9-yl)benzonitrile?
The canonical SMILES for 4-[2-(3-carbazol-9-ylphenyl)phenyl]-3-(10-phenylanthracen-9-yl)benzonitrile is N#Cc1ccc(-c2ccccc2-c2cccc(-n3c4ccccc4c4ccccc43)c2)c(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c1.
What is the InChIKey of 4-[2-(3-carbazol-9-ylphenyl)phenyl]-3-(10-phenylanthracen-9-yl)benzonitrile?
The InChIKey is YHHWTSPVTRAULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2/c52-33-34-29-30-40(47(31-34)51-45-25-8-6-23-43(45)50(35-15-2-1-3-16-35)44-24-7-9-26-46(44)51)39-20-5-4-19-38(39)36-17-14-18-37(32-36)53-48-27-12-10-21-41(48)42-22-11-13-28-49(42)53/h1-32H.
What are the key properties of 4-[2-(3-carbazol-9-ylphenyl)phenyl]-3-(10-phenylanthracen-9-yl)benzonitrile?
4-[2-(3-carbazol-9-ylphenyl)phenyl]-3-(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 4-[2-(3-carbazol-9-ylphenyl)phenyl]-3-(10-phenylanthracen-9-yl)benzonitrile is sourced from PubChem (CID 167336438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).