2-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile;4-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile

C114H78N12 — CID 158854072

IUPAC2-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile;4-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile
SMILESCc1ccc2c3ccccc3n(-c3cc(-c4ccc(C#N)cc4)c(-n4c5ccccc5c5ccc(C)cc54)cn3)c2c1.Cc1ccc2c3ccccc3n(-c3cc(-c4cccc(C#N)c4)c(-n4c5ccccc5c5ccc(C)cc54)cn3)c2c1.Cc1ccc2c3ccccc3n(-c3cc(-c4ccccc4C#N)c(-n4c5ccccc5c5ccc(C)cc54)cn3)c2c1
InChIInChI=1S/3C38H26N4/c1-24-14-16-30-28-10-3-5-12-33(28)41(35(30)18-24)37-23-40-38(21-32(37)27-9-7-8-26(20-27)22-39)42-34-13-6-4-11-29(34)31-17-15-25(2)19-36(31)42;1-24-11-17-30-28-7-3-5-9-33(28)41(35(30)19-24)37-23-40-38(21-32(37)27-15-13-26(22-39)14-16-27)42-34-10-6-4-8-29(34)31-18-12-25(2)20-36(31)42;1-24-15-17-30-28-11-5-7-13-33(28)41(35(30)19-24)37-23-40-38(21-32(37)27-10-4-3-9-26(27)22-39)42-34-14-8-6-12-29(34)31-18-16-25(2)20-36(31)42/h3*3-21,23H,1-2H3
InChIKeyIZUXORZGLCONPH-UHFFFAOYSA-N
MW1615.96 g/mol
LogP28.29
Rot. Bonds9

About 2-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile;4-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile

2-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile;4-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile (PubChem CID 158854072) has the molecular formula C114H78N12 and a molecular weight of 1615.96 g/mol. Its IUPAC name is 2-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile;4-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile.

Molecular Properties

Compound Name2-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile;4-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile
PubChem CID158854072
Molecular FormulaC114H78N12
Molecular Weight1615.96 g/mol
Exact Mass1614.65
IUPAC Name2-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile;4-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile
SMILESCc1ccc2c3ccccc3n(-c3cc(-c4ccc(C#N)cc4)c(-n4c5ccccc5c5ccc(C)cc54)cn3)c2c1.Cc1ccc2c3ccccc3n(-c3cc(-c4cccc(C#N)c4)c(-n4c5ccccc5c5ccc(C)cc54)cn3)c2c1.Cc1ccc2c3ccccc3n(-c3cc(-c4ccccc4C#N)c(-n4c5ccccc5c5ccc(C)cc54)cn3)c2c1
InChIInChI=1S/3C38H26N4/c1-24-14-16-30-28-10-3-5-12-33(28)41(35(30)18-24)37-23-40-38(21-32(37)27-9-7-8-26(20-27)22-39)42-34-13-6-4-11-29(34)31-17-15-25(2)19-36(31)42;1-24-11-17-30-28-7-3-5-9-33(28)41(35(30)19-24)37-23-40-38(21-32(37)27-15-13-26(22-39)14-16-27)42-34-10-6-4-8-29(34)31-18-12-25(2)20-36(31)42;1-24-15-17-30-28-11-5-7-13-33(28)41(35(30)19-24)37-23-40-38(21-32(37)27-10-4-3-9-26(27)22-39)42-34-14-8-6-12-29(34)31-18-16-25(2)20-36(31)42/h3*3-21,23H,1-2H3
InChIKeyIZUXORZGLCONPH-UHFFFAOYSA-N
XLogP28.29
TPSA139.62 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001615.96
LogP ≤ 528.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile;4-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile with MolForge

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Related Compounds

2-[9-[4-(4-cyanophenyl)-5-[2-(2-cyanophenyl)carbazol-9-yl]-2-pyridinyl]carbazol-2-yl]benzonitrile
CID 142452311
4-[2,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146546432
4-[2-[3-(4-methylphenyl)carbazol-9-yl]-5-(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 146543862
4-[2,5-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146543732
3-[9-[5-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-4-(4-cyanophenyl)-2-pyridinyl]-6-(3-cyanophenyl)carbazol-3-yl]benzonitrile
CID 142452279
2-[2,5-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 153043769
3-[2,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[2,5-bis(2,7-diphenylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(2-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 159913359
9-[6-carbazol-9-yl-4-[2-(2-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3-carbonitrile;9-[6-carbazol-9-yl-4-[2-(3-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3-carbonitrile;9-[6-carbazol-9-yl-4-[2-(4-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3-carbonitrile;9-[6-carbazol-9-yl-4-[2-(2-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile
CID 158469733
2-[9-[5-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-(2-cyanophenyl)-2-pyridinyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile
CID 142452327
4-[2,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 146546458
3-[2,5-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544320
4-[9-[5-[2-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-4-(3-cyanophenyl)-2-pyridinyl]carbazol-2-yl]-3-isocyanobenzonitrile
CID 153486534

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile;4-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile?
The IUPAC name of 2-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile;4-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile (CID 158854072) is 2-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile;4-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile.
What is the SMILES notation for 2-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile;4-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile?
The canonical SMILES for 2-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile;4-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile is Cc1ccc2c3ccccc3n(-c3cc(-c4ccc(C#N)cc4)c(-n4c5ccccc5c5ccc(C)cc54)cn3)c2c1.Cc1ccc2c3ccccc3n(-c3cc(-c4cccc(C#N)c4)c(-n4c5ccccc5c5ccc(C)cc54)cn3)c2c1.Cc1ccc2c3ccccc3n(-c3cc(-c4ccccc4C#N)c(-n4c5ccccc5c5ccc(C)cc54)cn3)c2c1.
What is the InChIKey of 2-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile;4-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile?
The InChIKey is IZUXORZGLCONPH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C38H26N4/c1-24-14-16-30-28-10-3-5-12-33(28)41(35(30)18-24)37-23-40-38(21-32(37)27-9-7-8-26(20-27)22-39)42-34-13-6-4-11-29(34)31-17-15-25(2)19-36(31)42;1-24-11-17-30-28-7-3-5-9-33(28)41(35(30)19-24)37-23-40-38(21-32(37)27-15-13-26(22-39)14-16-27)42-34-10-6-4-8-29(34)31-18-12-25(2)20-36(31)42;1-24-15-17-30-28-11-5-7-13-33(28)41(35(30)19-24)37-23-40-38(21-32(37)27-10-4-3-9-26(27)22-39)42-34-14-8-6-12-29(34)31-18-16-25(2)20-36(31)42/h3*3-21,23H,1-2H3.
What are the key properties of 2-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile;4-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile?
2-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile;4-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile has a molecular weight of 1615.96 g/mol, XLogP of 28.29, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile;4-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile is sourced from PubChem (CID 158854072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).