9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-fluorophenyl)phenyl]carbazole-3-carbonitrile

C40H24FN5 — CID 163657911

IUPAC9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-fluorophenyl)phenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(-c2ccccc2F)c1
InChIInChI=1S/C40H24FN5/c41-35-17-9-7-15-30(35)33-24-29(46-36-18-10-8-16-31(36)34-23-26(25-42)19-22-37(34)46)20-21-32(33)40-44-38(27-11-3-1-4-12-27)43-39(45-40)28-13-5-2-6-14-28/h1-24H
InChIKeyIRVSKZBCKMGBAX-UHFFFAOYSA-N
MW593.67 g/mol
LogP9.65
Rot. Bonds5

About 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-fluorophenyl)phenyl]carbazole-3-carbonitrile

9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-fluorophenyl)phenyl]carbazole-3-carbonitrile (PubChem CID 163657911) has the molecular formula C40H24FN5 and a molecular weight of 593.67 g/mol. Its IUPAC name is 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-fluorophenyl)phenyl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-fluorophenyl)phenyl]carbazole-3-carbonitrile
PubChem CID163657911
Molecular FormulaC40H24FN5
Molecular Weight593.67 g/mol
Exact Mass593.20
IUPAC Name9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-fluorophenyl)phenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(-c2ccccc2F)c1
InChIInChI=1S/C40H24FN5/c41-35-17-9-7-15-30(35)33-24-29(46-36-18-10-8-16-31(36)34-23-26(25-42)19-22-37(34)46)20-21-32(33)40-44-38(27-11-3-1-4-12-27)43-39(45-40)28-13-5-2-6-14-28/h1-24H
InChIKeyIRVSKZBCKMGBAX-UHFFFAOYSA-N
XLogP9.65
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.67
LogP ≤ 59.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-fluorophenyl)phenyl]carbazole-3-carbonitrile?
The IUPAC name of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-fluorophenyl)phenyl]carbazole-3-carbonitrile (CID 163657911) is 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-fluorophenyl)phenyl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-fluorophenyl)phenyl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-fluorophenyl)phenyl]carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(-c2ccccc2F)c1.
What is the InChIKey of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-fluorophenyl)phenyl]carbazole-3-carbonitrile?
The InChIKey is IRVSKZBCKMGBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24FN5/c41-35-17-9-7-15-30(35)33-24-29(46-36-18-10-8-16-31(36)34-23-26(25-42)19-22-37(34)46)20-21-32(33)40-44-38(27-11-3-1-4-12-27)43-39(45-40)28-13-5-2-6-14-28/h1-24H.
What are the key properties of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-fluorophenyl)phenyl]carbazole-3-carbonitrile?
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-fluorophenyl)phenyl]carbazole-3-carbonitrile has a molecular weight of 593.67 g/mol, XLogP of 9.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-fluorophenyl)phenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 163657911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).