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

C33H22N4 — CID 23527810

IUPAC9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1
InChIInChI=1S/C33H22N4/c1-3-11-23(12-4-1)31-34-32(24-13-5-2-6-14-24)36-33(35-31)25-19-21-26(22-20-25)37-29-17-9-7-15-27(29)28-16-8-10-18-30(28)37/h1-22H
InChIKeyCUNRCBBBPBWPTM-UHFFFAOYSA-N
MW474.57 g/mol
LogP7.97
Rot. Bonds4

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

9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (PubChem CID 23527810) has the molecular formula C33H22N4 and a molecular weight of 474.57 g/mol. Its IUPAC name is 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
PubChem CID23527810
Molecular FormulaC33H22N4
Molecular Weight474.57 g/mol
Exact Mass474.18
IUPAC Name9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1
InChIInChI=1S/C33H22N4/c1-3-11-23(12-4-1)31-34-32(24-13-5-2-6-14-24)36-33(35-31)25-19-21-26(22-20-25)37-29-17-9-7-15-27(29)28-16-8-10-18-30(28)37/h1-22H
InChIKeyCUNRCBBBPBWPTM-UHFFFAOYSA-N
XLogP7.97
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.57
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The IUPAC name of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (CID 23527810) is 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.
What is the SMILES notation for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The canonical SMILES for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1.
What is the InChIKey of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The InChIKey is CUNRCBBBPBWPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N4/c1-3-11-23(12-4-1)31-34-32(24-13-5-2-6-14-24)36-33(35-31)25-19-21-26(22-20-25)37-29-17-9-7-15-27(29)28-16-8-10-18-30(28)37/h1-22H.
What are the key properties of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole has a molecular weight of 474.57 g/mol, XLogP of 7.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole is sourced from PubChem (CID 23527810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).