2,6-bis(2-methylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile

C38H26N4 — CID 134292741

IUPAC2,6-bis(2-methylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile
SMILESCc1ccc2c3ccccc3n(-c3cc(-c4ccncc4)cc(-n4c5ccccc5c5ccc(C)cc54)c3C#N)c2c1
InChIInChI=1S/C38H26N4/c1-24-11-13-30-28-7-3-5-9-33(28)41(35(30)19-24)37-21-27(26-15-17-40-18-16-26)22-38(32(37)23-39)42-34-10-6-4-8-29(34)31-14-12-25(2)20-36(31)42/h3-22H,1-2H3
InChIKeyAPYVBUDXQYEQRY-UHFFFAOYSA-N
MW538.65 g/mol
LogP9.43
Rot. Bonds3

About 2,6-bis(2-methylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile

2,6-bis(2-methylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile (PubChem CID 134292741) has the molecular formula C38H26N4 and a molecular weight of 538.65 g/mol. Its IUPAC name is 2,6-bis(2-methylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile.

Molecular Properties

Compound Name2,6-bis(2-methylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile
PubChem CID134292741
Molecular FormulaC38H26N4
Molecular Weight538.65 g/mol
Exact Mass538.22
IUPAC Name2,6-bis(2-methylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile
SMILESCc1ccc2c3ccccc3n(-c3cc(-c4ccncc4)cc(-n4c5ccccc5c5ccc(C)cc54)c3C#N)c2c1
InChIInChI=1S/C38H26N4/c1-24-11-13-30-28-7-3-5-9-33(28)41(35(30)19-24)37-21-27(26-15-17-40-18-16-26)22-38(32(37)23-39)42-34-10-6-4-8-29(34)31-14-12-25(2)20-36(31)42/h3-22H,1-2H3
InChIKeyAPYVBUDXQYEQRY-UHFFFAOYSA-N
XLogP9.43
TPSA46.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.65
LogP ≤ 59.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-bis[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 134293067
4-pyridin-4-yl-2,6-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile
CID 134292587
3-(2-methylcarbazol-9-yl)-5-pyridin-4-ylbenzonitrile
CID 138565472
2,6-bis[2-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 134296278
2,6-bis[3-(4-cyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 134301953
4-(3,5-difluorophenyl)-2,6-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile
CID 142489544
4-(3-cyanophenyl)-2,6-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile
CID 155646771
2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-6-[3-[3-[3-[9-[2-cyano-3-[2-(3-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylphenyl]carbazol-2-yl]-5-methylphenyl]-2-methylphenyl]-6-(2-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 154966870
2,6-bis(3,6-ditert-butylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile
CID 134292888
4-(4,6-dimethylpyrimidin-2-yl)-2-(2-methylcarbazol-9-yl)benzonitrile
CID 146699426
5-[9-[2-cyano-5-(3,5-dicyanophenyl)-3-[2-(3,5-dicyanophenyl)carbazol-9-yl]phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 139538914
2,6-bis(3-methylcarbazol-9-yl)-4-(3-pyrido[2,3-b]indol-9-ylphenyl)benzonitrile
CID 139507231

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(2-methylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile?
The IUPAC name of 2,6-bis(2-methylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile (CID 134292741) is 2,6-bis(2-methylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile.
What is the SMILES notation for 2,6-bis(2-methylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile?
The canonical SMILES for 2,6-bis(2-methylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile is Cc1ccc2c3ccccc3n(-c3cc(-c4ccncc4)cc(-n4c5ccccc5c5ccc(C)cc54)c3C#N)c2c1.
What is the InChIKey of 2,6-bis(2-methylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile?
The InChIKey is APYVBUDXQYEQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N4/c1-24-11-13-30-28-7-3-5-9-33(28)41(35(30)19-24)37-21-27(26-15-17-40-18-16-26)22-38(32(37)23-39)42-34-10-6-4-8-29(34)31-14-12-25(2)20-36(31)42/h3-22H,1-2H3.
What are the key properties of 2,6-bis(2-methylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile?
2,6-bis(2-methylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile has a molecular weight of 538.65 g/mol, XLogP of 9.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(2-methylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile is sourced from PubChem (CID 134292741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).