2-[3-(2-phenylphenyl)carbazol-9-yl]benzo[c]phenanthrene-11-carbonitrile

C43H26N2 — CID 145009443

IUPAC2-[3-(2-phenylphenyl)carbazol-9-yl]benzo[c]phenanthrene-11-carbonitrile
SMILESN#Cc1ccc2ccc3ccc4ccc(-n5c6ccccc6c6cc(-c7ccccc7-c7ccccc7)ccc65)cc4c3c2c1
InChIInChI=1S/C43H26N2/c44-27-28-14-15-30-16-18-32-19-17-31-20-22-34(26-39(31)43(32)38(30)24-28)45-41-13-7-6-12-37(41)40-25-33(21-23-42(40)45)36-11-5-4-10-35(36)29-8-2-1-3-9-29/h1-26H
InChIKeyMNYRALNEIIXFFN-UHFFFAOYSA-N
MW570.70 g/mol
LogP11.45
Rot. Bonds3

About 2-[3-(2-phenylphenyl)carbazol-9-yl]benzo[c]phenanthrene-11-carbonitrile

2-[3-(2-phenylphenyl)carbazol-9-yl]benzo[c]phenanthrene-11-carbonitrile (PubChem CID 145009443) has the molecular formula C43H26N2 and a molecular weight of 570.70 g/mol. Its IUPAC name is 2-[3-(2-phenylphenyl)carbazol-9-yl]benzo[c]phenanthrene-11-carbonitrile.

Molecular Properties

Compound Name2-[3-(2-phenylphenyl)carbazol-9-yl]benzo[c]phenanthrene-11-carbonitrile
PubChem CID145009443
Molecular FormulaC43H26N2
Molecular Weight570.70 g/mol
Exact Mass570.21
IUPAC Name2-[3-(2-phenylphenyl)carbazol-9-yl]benzo[c]phenanthrene-11-carbonitrile
SMILESN#Cc1ccc2ccc3ccc4ccc(-n5c6ccccc6c6cc(-c7ccccc7-c7ccccc7)ccc65)cc4c3c2c1
InChIInChI=1S/C43H26N2/c44-27-28-14-15-30-16-18-32-19-17-31-20-22-34(26-39(31)43(32)38(30)24-28)45-41-13-7-6-12-37(41)40-25-33(21-23-42(40)45)36-11-5-4-10-35(36)29-8-2-1-3-9-29/h1-26H
InChIKeyMNYRALNEIIXFFN-UHFFFAOYSA-N
XLogP11.45
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.70
LogP ≤ 511.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

6-[3-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenanthrene-3-carbonitrile
CID 155369918
4-[2-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile
CID 138708456
6-[2-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-3-carbonitrile
CID 155369921
9-[9-[2-(4-cyanophenyl)phenyl]carbazol-3-yl]carbazole-3-carbonitrile
CID 164957038
4-[3-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-2-phenylphenyl]benzonitrile
CID 138675154
6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile
CID 134597724
4-[9-(6-isocyanophenanthren-3-yl)carbazol-3-yl]-9-phenylcarbazole;6-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-2-carbonitrile;7-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-2-carbonitrile;7-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-3-carbonitrile
CID 162198701
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
9-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 154958191
9-[4-[2-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 155079786
6-carbazol-9-yl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]carbazole-3-carbonitrile
CID 146280918
6-carbazol-9-yl-9-[2-cyano-4-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 154958315

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-phenylphenyl)carbazol-9-yl]benzo[c]phenanthrene-11-carbonitrile?
The IUPAC name of 2-[3-(2-phenylphenyl)carbazol-9-yl]benzo[c]phenanthrene-11-carbonitrile (CID 145009443) is 2-[3-(2-phenylphenyl)carbazol-9-yl]benzo[c]phenanthrene-11-carbonitrile.
What is the SMILES notation for 2-[3-(2-phenylphenyl)carbazol-9-yl]benzo[c]phenanthrene-11-carbonitrile?
The canonical SMILES for 2-[3-(2-phenylphenyl)carbazol-9-yl]benzo[c]phenanthrene-11-carbonitrile is N#Cc1ccc2ccc3ccc4ccc(-n5c6ccccc6c6cc(-c7ccccc7-c7ccccc7)ccc65)cc4c3c2c1.
What is the InChIKey of 2-[3-(2-phenylphenyl)carbazol-9-yl]benzo[c]phenanthrene-11-carbonitrile?
The InChIKey is MNYRALNEIIXFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N2/c44-27-28-14-15-30-16-18-32-19-17-31-20-22-34(26-39(31)43(32)38(30)24-28)45-41-13-7-6-12-37(41)40-25-33(21-23-42(40)45)36-11-5-4-10-35(36)29-8-2-1-3-9-29/h1-26H.
What are the key properties of 2-[3-(2-phenylphenyl)carbazol-9-yl]benzo[c]phenanthrene-11-carbonitrile?
2-[3-(2-phenylphenyl)carbazol-9-yl]benzo[c]phenanthrene-11-carbonitrile has a molecular weight of 570.70 g/mol, XLogP of 11.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-phenylphenyl)carbazol-9-yl]benzo[c]phenanthrene-11-carbonitrile is sourced from PubChem (CID 145009443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).