2-carbazol-9-yl-5-[4-[2-(10-phenylanthracen-9-yl)phenyl]phenyl]benzonitrile

C51H32N2 — CID 167336282

IUPAC2-carbazol-9-yl-5-[4-[2-(10-phenylanthracen-9-yl)phenyl]phenyl]benzonitrile
SMILESN#Cc1cc(-c2ccc(-c3ccccc3-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)ccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C51H32N2/c52-33-38-32-37(30-31-47(38)53-48-24-12-10-17-40(48)41-18-11-13-25-49(41)53)34-26-28-35(29-27-34)39-16-4-5-19-42(39)51-45-22-8-6-20-43(45)50(36-14-2-1-3-15-36)44-21-7-9-23-46(44)51/h1-32H
InChIKeyMHLVVIMTKWDNMK-UHFFFAOYSA-N
MW672.83 g/mol
LogP13.63
Rot. Bonds5

About 2-carbazol-9-yl-5-[4-[2-(10-phenylanthracen-9-yl)phenyl]phenyl]benzonitrile

2-carbazol-9-yl-5-[4-[2-(10-phenylanthracen-9-yl)phenyl]phenyl]benzonitrile (PubChem CID 167336282) has the molecular formula C51H32N2 and a molecular weight of 672.83 g/mol. Its IUPAC name is 2-carbazol-9-yl-5-[4-[2-(10-phenylanthracen-9-yl)phenyl]phenyl]benzonitrile.

Molecular Properties

Compound Name2-carbazol-9-yl-5-[4-[2-(10-phenylanthracen-9-yl)phenyl]phenyl]benzonitrile
PubChem CID167336282
Molecular FormulaC51H32N2
Molecular Weight672.83 g/mol
Exact Mass672.26
IUPAC Name2-carbazol-9-yl-5-[4-[2-(10-phenylanthracen-9-yl)phenyl]phenyl]benzonitrile
SMILESN#Cc1cc(-c2ccc(-c3ccccc3-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)ccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C51H32N2/c52-33-38-32-37(30-31-47(38)53-48-24-12-10-17-40(48)41-18-11-13-25-49(41)53)34-26-28-35(29-27-34)39-16-4-5-19-42(39)51-45-22-8-6-20-43(45)50(36-14-2-1-3-15-36)44-21-7-9-23-46(44)51/h1-32H
InChIKeyMHLVVIMTKWDNMK-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

2-carbazol-9-yl-3-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]benzonitrile
CID 155080383
2-carbazol-9-yl-3-[3-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]benzonitrile
CID 167336323
9-[2-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]phenyl]carbazole-4-carbonitrile
CID 155080681
2-[2-(3-phenylcarbazol-9-yl)phenyl]benzonitrile
CID 175219290
3-(3-phenylphenyl)-9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazole;3-(3-phenylphenyl)-9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole
CID 157065974
3-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(10-phenylanthracen-9-yl)benzonitrile
CID 167336584
9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-2,6-dicarbonitrile
CID 155081617
4-carbazol-9-yl-5-[4-(10-phenylanthracen-9-yl)phenyl]benzene-1,3-dicarbonitrile
CID 167336451
9-[2-(4-phenylphenyl)phenyl]-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568797
9-[4-[3-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile
CID 155080575
4-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-phenylphenyl]benzene-1,2-dicarbonitrile
CID 140903142
2-(2-carbazol-9-yl-6-isocyanophenyl)-3-(10-phenylanthracen-9-yl)benzonitrile
CID 167336392

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-5-[4-[2-(10-phenylanthracen-9-yl)phenyl]phenyl]benzonitrile?
The IUPAC name of 2-carbazol-9-yl-5-[4-[2-(10-phenylanthracen-9-yl)phenyl]phenyl]benzonitrile (CID 167336282) is 2-carbazol-9-yl-5-[4-[2-(10-phenylanthracen-9-yl)phenyl]phenyl]benzonitrile.
What is the SMILES notation for 2-carbazol-9-yl-5-[4-[2-(10-phenylanthracen-9-yl)phenyl]phenyl]benzonitrile?
The canonical SMILES for 2-carbazol-9-yl-5-[4-[2-(10-phenylanthracen-9-yl)phenyl]phenyl]benzonitrile is N#Cc1cc(-c2ccc(-c3ccccc3-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)ccc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 2-carbazol-9-yl-5-[4-[2-(10-phenylanthracen-9-yl)phenyl]phenyl]benzonitrile?
The InChIKey is MHLVVIMTKWDNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2/c52-33-38-32-37(30-31-47(38)53-48-24-12-10-17-40(48)41-18-11-13-25-49(41)53)34-26-28-35(29-27-34)39-16-4-5-19-42(39)51-45-22-8-6-20-43(45)50(36-14-2-1-3-15-36)44-21-7-9-23-46(44)51/h1-32H.
What are the key properties of 2-carbazol-9-yl-5-[4-[2-(10-phenylanthracen-9-yl)phenyl]phenyl]benzonitrile?
2-carbazol-9-yl-5-[4-[2-(10-phenylanthracen-9-yl)phenyl]phenyl]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 2-carbazol-9-yl-5-[4-[2-(10-phenylanthracen-9-yl)phenyl]phenyl]benzonitrile is sourced from PubChem (CID 167336282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).