3-(2-methylcarbazol-9-yl)-5-pyridin-4-ylbenzonitrile

C25H17N3 — CID 138565472

IUPAC3-(2-methylcarbazol-9-yl)-5-pyridin-4-ylbenzonitrile
SMILESCc1ccc2c3ccccc3n(-c3cc(C#N)cc(-c4ccncc4)c3)c2c1
InChIInChI=1S/C25H17N3/c1-17-6-7-23-22-4-2-3-5-24(22)28(25(23)12-17)21-14-18(16-26)13-20(15-21)19-8-10-27-11-9-19/h2-15H,1H3
InChIKeyLUJFUSYDJNWVGK-UHFFFAOYSA-N
MW359.43 g/mol
LogP6.03
Rot. Bonds2

About 3-(2-methylcarbazol-9-yl)-5-pyridin-4-ylbenzonitrile

3-(2-methylcarbazol-9-yl)-5-pyridin-4-ylbenzonitrile (PubChem CID 138565472) has the molecular formula C25H17N3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 3-(2-methylcarbazol-9-yl)-5-pyridin-4-ylbenzonitrile.

Molecular Properties

Compound Name3-(2-methylcarbazol-9-yl)-5-pyridin-4-ylbenzonitrile
PubChem CID138565472
Molecular FormulaC25H17N3
Molecular Weight359.43 g/mol
Exact Mass359.14
IUPAC Name3-(2-methylcarbazol-9-yl)-5-pyridin-4-ylbenzonitrile
SMILESCc1ccc2c3ccccc3n(-c3cc(C#N)cc(-c4ccncc4)c3)c2c1
InChIInChI=1S/C25H17N3/c1-17-6-7-23-22-4-2-3-5-24(22)28(25(23)12-17)21-14-18(16-26)13-20(15-21)19-8-10-27-11-9-19/h2-15H,1H3
InChIKeyLUJFUSYDJNWVGK-UHFFFAOYSA-N
XLogP6.03
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.43
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-bis(2-methylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile
CID 134292741
3-pyridin-4-yl-5-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 138566387
3-[1-(2-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylbenzonitrile
CID 138566121
3-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-pyridin-4-ylbenzonitrile
CID 138565840
5-[3,5-bis(2-methylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile
CID 162612235
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
9-[3-cyano-5-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]carbazole-3-carbonitrile
CID 139574980
3-carbazol-9-yl-5-[3-[3-(3-cyanophenyl)phenyl]phenyl]benzonitrile
CID 126761593
9-[3-[4-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-2-carbonitrile
CID 155080823
5-[3,5-di(carbazol-9-yl)phenyl]pyridine-3-carbonitrile
CID 132545702
4-[3-(4-cyanophenyl)-5-[2,7-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzonitrile
CID 150999428

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylcarbazol-9-yl)-5-pyridin-4-ylbenzonitrile?
The IUPAC name of 3-(2-methylcarbazol-9-yl)-5-pyridin-4-ylbenzonitrile (CID 138565472) is 3-(2-methylcarbazol-9-yl)-5-pyridin-4-ylbenzonitrile.
What is the SMILES notation for 3-(2-methylcarbazol-9-yl)-5-pyridin-4-ylbenzonitrile?
The canonical SMILES for 3-(2-methylcarbazol-9-yl)-5-pyridin-4-ylbenzonitrile is Cc1ccc2c3ccccc3n(-c3cc(C#N)cc(-c4ccncc4)c3)c2c1.
What is the InChIKey of 3-(2-methylcarbazol-9-yl)-5-pyridin-4-ylbenzonitrile?
The InChIKey is LUJFUSYDJNWVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N3/c1-17-6-7-23-22-4-2-3-5-24(22)28(25(23)12-17)21-14-18(16-26)13-20(15-21)19-8-10-27-11-9-19/h2-15H,1H3.
What are the key properties of 3-(2-methylcarbazol-9-yl)-5-pyridin-4-ylbenzonitrile?
3-(2-methylcarbazol-9-yl)-5-pyridin-4-ylbenzonitrile has a molecular weight of 359.43 g/mol, XLogP of 6.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylcarbazol-9-yl)-5-pyridin-4-ylbenzonitrile is sourced from PubChem (CID 138565472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).