3-methyl-4-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile

C38H25N3 — CID 122418166

IUPAC3-methyl-4-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile
SMILESCc1cc(C#N)ccc1-n1c2ccccc2c2c(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cccc21
InChIInChI=1S/C38H25N3/c1-25-22-26(24-39)18-21-33(25)41-35-16-8-6-13-32(35)38-29(14-9-17-36(38)41)27-19-20-31-30-12-5-7-15-34(30)40(37(31)23-27)28-10-3-2-4-11-28/h2-23H,1H3
InChIKeyRZQYJDNXWNTLFR-UHFFFAOYSA-N
MW523.64 g/mol
LogP9.73
Rot. Bonds3

About 3-methyl-4-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile

3-methyl-4-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile (PubChem CID 122418166) has the molecular formula C38H25N3 and a molecular weight of 523.64 g/mol. Its IUPAC name is 3-methyl-4-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name3-methyl-4-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile
PubChem CID122418166
Molecular FormulaC38H25N3
Molecular Weight523.64 g/mol
Exact Mass523.20
IUPAC Name3-methyl-4-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile
SMILESCc1cc(C#N)ccc1-n1c2ccccc2c2c(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cccc21
InChIInChI=1S/C38H25N3/c1-25-22-26(24-39)18-21-33(25)41-35-16-8-6-13-32(35)38-29(14-9-17-36(38)41)27-19-20-31-30-12-5-7-15-34(30)40(37(31)23-27)28-10-3-2-4-11-28/h2-23H,1H3
InChIKeyRZQYJDNXWNTLFR-UHFFFAOYSA-N
XLogP9.73
TPSA33.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.64
LogP ≤ 59.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-3-carbonitrile
CID 155369921
2-[9-(4-isocyano-2-methylphenyl)carbazol-4-yl]-9-phenylcarbazole
CID 160811833
4-(9-phenylcarbazol-2-yl)-9-[2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]carbazole
CID 170386628
4-[3-[9-(4-cyanophenyl)carbazol-4-yl]carbazol-9-yl]benzonitrile
CID 122384230
2-carbazol-9-yl-5-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
CID 122414458
9-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole-2-carbonitrile
CID 167403949
5-[5-(6,9-diphenylcarbazol-2-yl)-3-phenylcarbazol-9-yl]benzene-1,3-dicarbonitrile
CID 122418251
9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]carbazole-2-carbonitrile
CID 155080742
9-[2-[4-methyl-3-[4-(4-methylcarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 163806993
9-[2-(5,9-diphenylcarbazol-2-yl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 176824343
4-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 118231228
5-isocyano-3-methyl-2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile
CID 159576934

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile?
The IUPAC name of 3-methyl-4-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile (CID 122418166) is 3-methyl-4-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile.
What is the SMILES notation for 3-methyl-4-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile?
The canonical SMILES for 3-methyl-4-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile is Cc1cc(C#N)ccc1-n1c2ccccc2c2c(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cccc21.
What is the InChIKey of 3-methyl-4-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile?
The InChIKey is RZQYJDNXWNTLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25N3/c1-25-22-26(24-39)18-21-33(25)41-35-16-8-6-13-32(35)38-29(14-9-17-36(38)41)27-19-20-31-30-12-5-7-15-34(30)40(37(31)23-27)28-10-3-2-4-11-28/h2-23H,1H3.
What are the key properties of 3-methyl-4-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile?
3-methyl-4-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile has a molecular weight of 523.64 g/mol, XLogP of 9.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile is sourced from PubChem (CID 122418166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).