9-methyl-1,3-diphenylcarbazole-2-carbonitrile

C26H18N2 — CID 3563048

IUPAC9-methyl-1,3-diphenylcarbazole-2-carbonitrile
SMILESCn1c2ccccc2c2cc(-c3ccccc3)c(C#N)c(-c3ccccc3)c21
InChIInChI=1S/C26H18N2/c1-28-24-15-9-8-14-20(24)22-16-21(18-10-4-2-5-11-18)23(17-27)25(26(22)28)19-12-6-3-7-13-19/h2-16H,1H3
InChIKeyFRNTZLFXIKWLQU-UHFFFAOYSA-N
MW358.44 g/mol
LogP6.54
Rot. Bonds2

About 9-methyl-1,3-diphenylcarbazole-2-carbonitrile

9-methyl-1,3-diphenylcarbazole-2-carbonitrile (PubChem CID 3563048) has the molecular formula C26H18N2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 9-methyl-1,3-diphenylcarbazole-2-carbonitrile.

Molecular Properties

Compound Name9-methyl-1,3-diphenylcarbazole-2-carbonitrile
PubChem CID3563048
Molecular FormulaC26H18N2
Molecular Weight358.44 g/mol
Exact Mass358.15
IUPAC Name9-methyl-1,3-diphenylcarbazole-2-carbonitrile
SMILESCn1c2ccccc2c2cc(-c3ccccc3)c(C#N)c(-c3ccccc3)c21
InChIInChI=1S/C26H18N2/c1-28-24-15-9-8-14-20(24)22-16-21(18-10-4-2-5-11-18)23(17-27)25(26(22)28)19-12-6-3-7-13-19/h2-16H,1H3
InChIKeyFRNTZLFXIKWLQU-UHFFFAOYSA-N
XLogP6.54
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(11,12-diphenylindolo[2,3-a]carbazol-5-yl)-2,6-diphenylbenzene-1,3-dicarbonitrile
CID 163662215
3-bromo-9-methyl-1-phenylcarbazole
CID 163978130
4,5-di(carbazol-9-yl)-3,6-diphenylbenzene-1,2-dicarbonitrile
CID 154596882
5-[4-cyano-3,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]benzene-1,3-dicarbonitrile
CID 139538922
3,4,5-tri(carbazol-9-yl)-2,6-diphenylbenzonitrile
CID 139441874
10-methyl-14,21-diphenyl-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
CID 58131761
2,3,11-trimethyl-5,6-diphenylbenzo[a]carbazole
CID 71620291
2,6-diphenyl-4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile
CID 122414507
11-methyl-5,6-diphenylbenzo[a]carbazole
CID 102308000
4-(4-fluorophenyl)-1-methyl-2-oxo-6-phenylpyridine-3-carbonitrile
CID 175962931
5-[2,4,6-tri(carbazol-9-yl)-3,5-diphenylphenyl]benzene-1,3-dicarbonitrile
CID 135135988
6,7-difluoro-1,3-diphenylnaphthalene-2-carbonitrile
CID 154635041

Frequently Asked Questions

What is the IUPAC name of 9-methyl-1,3-diphenylcarbazole-2-carbonitrile?
The IUPAC name of 9-methyl-1,3-diphenylcarbazole-2-carbonitrile (CID 3563048) is 9-methyl-1,3-diphenylcarbazole-2-carbonitrile.
What is the SMILES notation for 9-methyl-1,3-diphenylcarbazole-2-carbonitrile?
The canonical SMILES for 9-methyl-1,3-diphenylcarbazole-2-carbonitrile is Cn1c2ccccc2c2cc(-c3ccccc3)c(C#N)c(-c3ccccc3)c21.
What is the InChIKey of 9-methyl-1,3-diphenylcarbazole-2-carbonitrile?
The InChIKey is FRNTZLFXIKWLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2/c1-28-24-15-9-8-14-20(24)22-16-21(18-10-4-2-5-11-18)23(17-27)25(26(22)28)19-12-6-3-7-13-19/h2-16H,1H3.
What are the key properties of 9-methyl-1,3-diphenylcarbazole-2-carbonitrile?
9-methyl-1,3-diphenylcarbazole-2-carbonitrile has a molecular weight of 358.44 g/mol, XLogP of 6.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-1,3-diphenylcarbazole-2-carbonitrile is sourced from PubChem (CID 3563048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).