3-[1-(2-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylbenzonitrile

C31H21N3 — CID 138566121

IUPAC3-[1-(2-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylbenzonitrile
SMILESCc1ccccc1-c1cccc2c3ccccc3n(-c3cc(C#N)cc(-c4ccncc4)c3)c12
InChIInChI=1S/C31H21N3/c1-21-7-2-3-8-26(21)28-10-6-11-29-27-9-4-5-12-30(27)34(31(28)29)25-18-22(20-32)17-24(19-25)23-13-15-33-16-14-23/h2-19H,1H3
InChIKeyUIHNNXNOMVPZRN-UHFFFAOYSA-N
MW435.53 g/mol
LogP7.69
Rot. Bonds3

About 3-[1-(2-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylbenzonitrile

3-[1-(2-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylbenzonitrile (PubChem CID 138566121) has the molecular formula C31H21N3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 3-[1-(2-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylbenzonitrile.

Molecular Properties

Compound Name3-[1-(2-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylbenzonitrile
PubChem CID138566121
Molecular FormulaC31H21N3
Molecular Weight435.53 g/mol
Exact Mass435.17
IUPAC Name3-[1-(2-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylbenzonitrile
SMILESCc1ccccc1-c1cccc2c3ccccc3n(-c3cc(C#N)cc(-c4ccncc4)c3)c12
InChIInChI=1S/C31H21N3/c1-21-7-2-3-8-26(21)28-10-6-11-29-27-9-4-5-12-30(27)34(31(28)29)25-18-22(20-32)17-24(19-25)23-13-15-33-16-14-23/h2-19H,1H3
InChIKeyUIHNNXNOMVPZRN-UHFFFAOYSA-N
XLogP7.69
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.53
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1,8-bis(2-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylbenzonitrile
CID 138566119
4-[9-(3-cyano-5-pyridin-4-ylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile
CID 138566416
3-(2-methylcarbazol-9-yl)-5-pyridin-4-ylbenzonitrile
CID 138565472
3-pyridin-4-yl-5-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 138566387
9-[3-[3-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]-5-cyanophenyl]carbazole-3-carbonitrile
CID 154958994
3-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-pyridin-4-ylbenzonitrile
CID 138565840
9-[3-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile
CID 146939087
5-[3-carbazol-9-yl-9-(2,6-dimethylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile
CID 134598218
9-[3-cyano-5-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]carbazole-3-carbonitrile
CID 139574980
3-[3-(10-phenylanthracen-9-yl)phenyl]-5-pyrido[4,3-b]indol-5-ylbenzonitrile
CID 167336690
3-carbazol-9-yl-5-[3-[3-(3-cyanophenyl)phenyl]phenyl]benzonitrile
CID 126761593
5-(1-carbazol-9-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 145345087

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylbenzonitrile?
The IUPAC name of 3-[1-(2-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylbenzonitrile (CID 138566121) is 3-[1-(2-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylbenzonitrile.
What is the SMILES notation for 3-[1-(2-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylbenzonitrile?
The canonical SMILES for 3-[1-(2-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylbenzonitrile is Cc1ccccc1-c1cccc2c3ccccc3n(-c3cc(C#N)cc(-c4ccncc4)c3)c12.
What is the InChIKey of 3-[1-(2-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylbenzonitrile?
The InChIKey is UIHNNXNOMVPZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21N3/c1-21-7-2-3-8-26(21)28-10-6-11-29-27-9-4-5-12-30(27)34(31(28)29)25-18-22(20-32)17-24(19-25)23-13-15-33-16-14-23/h2-19H,1H3.
What are the key properties of 3-[1-(2-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylbenzonitrile?
3-[1-(2-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylbenzonitrile has a molecular weight of 435.53 g/mol, XLogP of 7.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylbenzonitrile is sourced from PubChem (CID 138566121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).