2-(4-quinolin-3-ylcarbazol-9-yl)benzonitrile

C28H17N3 — CID 67308148

IUPAC2-(4-quinolin-3-ylcarbazol-9-yl)benzonitrile
SMILESN#Cc1ccccc1-n1c2ccccc2c2c(-c3cnc4ccccc4c3)cccc21
InChIInChI=1S/C28H17N3/c29-17-20-9-2-5-13-25(20)31-26-14-6-3-10-23(26)28-22(11-7-15-27(28)31)21-16-19-8-1-4-12-24(19)30-18-21/h1-16,18H
InChIKeyPDFPSWAICBZXTR-UHFFFAOYSA-N
MW395.47 g/mol
LogP6.87
Rot. Bonds2

About 2-(4-quinolin-3-ylcarbazol-9-yl)benzonitrile

2-(4-quinolin-3-ylcarbazol-9-yl)benzonitrile (PubChem CID 67308148) has the molecular formula C28H17N3 and a molecular weight of 395.47 g/mol. Its IUPAC name is 2-(4-quinolin-3-ylcarbazol-9-yl)benzonitrile.

Molecular Properties

Compound Name2-(4-quinolin-3-ylcarbazol-9-yl)benzonitrile
PubChem CID67308148
Molecular FormulaC28H17N3
Molecular Weight395.47 g/mol
Exact Mass395.14
IUPAC Name2-(4-quinolin-3-ylcarbazol-9-yl)benzonitrile
SMILESN#Cc1ccccc1-n1c2ccccc2c2c(-c3cnc4ccccc4c3)cccc21
InChIInChI=1S/C28H17N3/c29-17-20-9-2-5-13-25(20)31-26-14-6-3-10-23(26)28-22(11-7-15-27(28)31)21-16-19-8-1-4-12-24(19)30-18-21/h1-16,18H
InChIKeyPDFPSWAICBZXTR-UHFFFAOYSA-N
XLogP6.87
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.47
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-hydroxypropylamino)-3-(4-quinolin-3-ylcarbazol-9-yl)benzonitrile
CID 67308741
5-(4-quinolin-3-ylcarbazol-9-yl)pyridine-2-carbaldehyde
CID 143871523
4-carbazol-9-yl-6-[4-[9-(5-carbazol-9-yl-2,4-dicyanophenyl)carbazol-4-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 132915570
9-[2-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]phenyl]carbazole-4-carbonitrile
CID 155080681
4-phenyl-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole
CID 167032257
2-[4-[9-(4-cyanophenyl)carbazol-1-yl]carbazol-9-yl]benzonitrile
CID 139351874
2-carbazol-9-yl-5-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
CID 122414458
6-fluoro-6-(4-quinolin-3-ylcarbazol-9-yl)cyclohexa-2,4-diene-1-carbonitrile
CID 154432794
2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]carbazol-3-yl]benzonitrile
CID 155232661
4-phenyl-9-[2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 167032359
2-[12-(2-cyanophenyl)indolo[3,2-c]carbazol-5-yl]benzonitrile
CID 130352969
2-[18,27-bis(2-cyanophenyl)-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaen-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)benzonitrile
CID 177100785

Frequently Asked Questions

What is the IUPAC name of 2-(4-quinolin-3-ylcarbazol-9-yl)benzonitrile?
The IUPAC name of 2-(4-quinolin-3-ylcarbazol-9-yl)benzonitrile (CID 67308148) is 2-(4-quinolin-3-ylcarbazol-9-yl)benzonitrile.
What is the SMILES notation for 2-(4-quinolin-3-ylcarbazol-9-yl)benzonitrile?
The canonical SMILES for 2-(4-quinolin-3-ylcarbazol-9-yl)benzonitrile is N#Cc1ccccc1-n1c2ccccc2c2c(-c3cnc4ccccc4c3)cccc21.
What is the InChIKey of 2-(4-quinolin-3-ylcarbazol-9-yl)benzonitrile?
The InChIKey is PDFPSWAICBZXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17N3/c29-17-20-9-2-5-13-25(20)31-26-14-6-3-10-23(26)28-22(11-7-15-27(28)31)21-16-19-8-1-4-12-24(19)30-18-21/h1-16,18H.
What are the key properties of 2-(4-quinolin-3-ylcarbazol-9-yl)benzonitrile?
2-(4-quinolin-3-ylcarbazol-9-yl)benzonitrile has a molecular weight of 395.47 g/mol, XLogP of 6.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-quinolin-3-ylcarbazol-9-yl)benzonitrile is sourced from PubChem (CID 67308148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).