3-(3-carbazol-9-ylphenyl)-6-(10-phenylanthracen-9-yl)benzene-1,2-dicarbonitrile

C46H27N3 — CID 167336318

IUPAC3-(3-carbazol-9-ylphenyl)-6-(10-phenylanthracen-9-yl)benzene-1,2-dicarbonitrile
SMILESN#Cc1c(-c2cccc(-n3c4ccccc4c4ccccc43)c2)ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c1C#N
InChIInChI=1S/C46H27N3/c47-28-41-33(31-15-12-16-32(27-31)49-43-23-10-8-17-34(43)35-18-9-11-24-44(35)49)25-26-40(42(41)29-48)46-38-21-6-4-19-36(38)45(30-13-2-1-3-14-30)37-20-5-7-22-39(37)46/h1-27H
InChIKeyZRVZAVZACURROT-UHFFFAOYSA-N
MW621.74 g/mol
LogP11.83
Rot. Bonds4

About 3-(3-carbazol-9-ylphenyl)-6-(10-phenylanthracen-9-yl)benzene-1,2-dicarbonitrile

3-(3-carbazol-9-ylphenyl)-6-(10-phenylanthracen-9-yl)benzene-1,2-dicarbonitrile (PubChem CID 167336318) has the molecular formula C46H27N3 and a molecular weight of 621.74 g/mol. Its IUPAC name is 3-(3-carbazol-9-ylphenyl)-6-(10-phenylanthracen-9-yl)benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name3-(3-carbazol-9-ylphenyl)-6-(10-phenylanthracen-9-yl)benzene-1,2-dicarbonitrile
PubChem CID167336318
Molecular FormulaC46H27N3
Molecular Weight621.74 g/mol
Exact Mass621.22
IUPAC Name3-(3-carbazol-9-ylphenyl)-6-(10-phenylanthracen-9-yl)benzene-1,2-dicarbonitrile
SMILESN#Cc1c(-c2cccc(-n3c4ccccc4c4ccccc43)c2)ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c1C#N
InChIInChI=1S/C46H27N3/c47-28-41-33(31-15-12-16-32(27-31)49-43-23-10-8-17-34(43)35-18-9-11-24-44(35)49)25-26-40(42(41)29-48)46-38-21-6-4-19-36(38)45(30-13-2-1-3-14-30)37-20-5-7-22-39(37)46/h1-27H
InChIKeyZRVZAVZACURROT-UHFFFAOYSA-N
XLogP11.83
TPSA52.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.74
LogP ≤ 511.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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
2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)benzonitrile
CID 138653750
3-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(10-phenylanthracen-9-yl)benzonitrile
CID 167336584
2-(2-carbazol-9-ylphenyl)-6-(3-carbazol-9-ylphenyl)benzonitrile
CID 155081407
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
9-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]carbazole
CID 161402260
3-(2-carbazol-9-ylphenyl)-4-(3-carbazol-9-ylphenyl)benzene-1,2-dicarbonitrile
CID 155079600
4-(2-carbazol-9-ylphenyl)-2-(3-carbazol-9-ylphenyl)benzene-1,3-dicarbonitrile
CID 155079862
9-[3-(4-carbazol-9-yl-2-phenylphenyl)phenyl]carbazole
CID 170059841
9-[5-cyano-2-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 167336467
2-(4-carbazol-9-ylphenyl)-4-isocyano-6-(10-phenylanthracen-9-yl)benzonitrile
CID 167336171
9-[3-[2-cyano-5-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 167336223

Frequently Asked Questions

What is the IUPAC name of 3-(3-carbazol-9-ylphenyl)-6-(10-phenylanthracen-9-yl)benzene-1,2-dicarbonitrile?
The IUPAC name of 3-(3-carbazol-9-ylphenyl)-6-(10-phenylanthracen-9-yl)benzene-1,2-dicarbonitrile (CID 167336318) is 3-(3-carbazol-9-ylphenyl)-6-(10-phenylanthracen-9-yl)benzene-1,2-dicarbonitrile.
What is the SMILES notation for 3-(3-carbazol-9-ylphenyl)-6-(10-phenylanthracen-9-yl)benzene-1,2-dicarbonitrile?
The canonical SMILES for 3-(3-carbazol-9-ylphenyl)-6-(10-phenylanthracen-9-yl)benzene-1,2-dicarbonitrile is N#Cc1c(-c2cccc(-n3c4ccccc4c4ccccc43)c2)ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c1C#N.
What is the InChIKey of 3-(3-carbazol-9-ylphenyl)-6-(10-phenylanthracen-9-yl)benzene-1,2-dicarbonitrile?
The InChIKey is ZRVZAVZACURROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27N3/c47-28-41-33(31-15-12-16-32(27-31)49-43-23-10-8-17-34(43)35-18-9-11-24-44(35)49)25-26-40(42(41)29-48)46-38-21-6-4-19-36(38)45(30-13-2-1-3-14-30)37-20-5-7-22-39(37)46/h1-27H.
What are the key properties of 3-(3-carbazol-9-ylphenyl)-6-(10-phenylanthracen-9-yl)benzene-1,2-dicarbonitrile?
3-(3-carbazol-9-ylphenyl)-6-(10-phenylanthracen-9-yl)benzene-1,2-dicarbonitrile has a molecular weight of 621.74 g/mol, XLogP of 11.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-carbazol-9-ylphenyl)-6-(10-phenylanthracen-9-yl)benzene-1,2-dicarbonitrile is sourced from PubChem (CID 167336318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).