5-[3,6-bis(3-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile

C38H27N3 — CID 138565576

IUPAC5-[3,6-bis(3-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
SMILESCc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C)c4)ccc2n3-c2ccc(-c3ccncc3)c(C#N)c2)c1
InChIInChI=1S/C38H27N3/c1-25-5-3-7-28(19-25)30-9-13-37-35(22-30)36-23-31(29-8-4-6-26(2)20-29)10-14-38(36)41(37)33-11-12-34(32(21-33)24-39)27-15-17-40-18-16-27/h3-23H,1-2H3
InChIKeyBRIGOOIQBBWQTO-UHFFFAOYSA-N
MW525.66 g/mol
LogP9.67
Rot. Bonds4

About 5-[3,6-bis(3-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile

5-[3,6-bis(3-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile (PubChem CID 138565576) has the molecular formula C38H27N3 and a molecular weight of 525.66 g/mol. Its IUPAC name is 5-[3,6-bis(3-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile.

Molecular Properties

Compound Name5-[3,6-bis(3-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
PubChem CID138565576
Molecular FormulaC38H27N3
Molecular Weight525.66 g/mol
Exact Mass525.22
IUPAC Name5-[3,6-bis(3-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
SMILESCc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C)c4)ccc2n3-c2ccc(-c3ccncc3)c(C#N)c2)c1
InChIInChI=1S/C38H27N3/c1-25-5-3-7-28(19-25)30-9-13-37-35(22-30)36-23-31(29-8-4-6-26(2)20-29)10-14-38(36)41(37)33-11-12-34(32(21-33)24-39)27-15-17-40-18-16-27/h3-23H,1-2H3
InChIKeyBRIGOOIQBBWQTO-UHFFFAOYSA-N
XLogP9.67
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.66
LogP ≤ 59.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(3-methylphenyl)carbazol-9-yl]benzonitrile
CID 134476313
5-methyl-4-[3-(3-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
CID 138566079
2-[2-cyano-5-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-4-[3-(3-methylphenyl)carbazol-9-yl]benzonitrile;ethane
CID 145427145
4,5-bis(3-carbazol-9-ylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile
CID 134292574
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]-3,6-diphenylcarbazole
CID 142560205
2-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-4-[3-(3-methylphenyl)carbazol-9-yl]phenyl]benzonitrile
CID 139495723
5-(3-carbazol-9-ylcarbazol-9-yl)-2-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]benzonitrile
CID 126730512
4-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-methyl-2-pyridin-4-ylbenzonitrile
CID 138565529
9-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]phenyl]-3,6-dimethylcarbazole
CID 139533365
5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 138579613
9-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 154958191
4-(3,6-ditert-butylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile
CID 138565463

Frequently Asked Questions

What is the IUPAC name of 5-[3,6-bis(3-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile?
The IUPAC name of 5-[3,6-bis(3-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile (CID 138565576) is 5-[3,6-bis(3-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile.
What is the SMILES notation for 5-[3,6-bis(3-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile?
The canonical SMILES for 5-[3,6-bis(3-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile is Cc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C)c4)ccc2n3-c2ccc(-c3ccncc3)c(C#N)c2)c1.
What is the InChIKey of 5-[3,6-bis(3-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile?
The InChIKey is BRIGOOIQBBWQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27N3/c1-25-5-3-7-28(19-25)30-9-13-37-35(22-30)36-23-31(29-8-4-6-26(2)20-29)10-14-38(36)41(37)33-11-12-34(32(21-33)24-39)27-15-17-40-18-16-27/h3-23H,1-2H3.
What are the key properties of 5-[3,6-bis(3-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile?
5-[3,6-bis(3-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile has a molecular weight of 525.66 g/mol, XLogP of 9.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,6-bis(3-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile is sourced from PubChem (CID 138565576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).