3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole

C33H22N4 — CID 70934583

IUPAC3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)n2)cc1
InChIInChI=1S/C33H22N4/c1-4-12-23(13-5-1)31-34-32(24-14-6-2-7-15-24)36-33(35-31)25-20-21-30-28(22-25)27-18-10-11-19-29(27)37(30)26-16-8-3-9-17-26/h1-22H
InChIKeyVPPRLINZYBFAMS-UHFFFAOYSA-N
MW474.57 g/mol
LogP7.97
Rot. Bonds4

About 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole

3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole (PubChem CID 70934583) has the molecular formula C33H22N4 and a molecular weight of 474.57 g/mol. Its IUPAC name is 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole
PubChem CID70934583
Molecular FormulaC33H22N4
Molecular Weight474.57 g/mol
Exact Mass474.18
IUPAC Name3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)n2)cc1
InChIInChI=1S/C33H22N4/c1-4-12-23(13-5-1)31-34-32(24-14-6-2-7-15-24)36-33(35-31)25-20-21-30-28(22-25)27-18-10-11-19-29(27)37(30)26-16-8-3-9-17-26/h1-22H
InChIKeyVPPRLINZYBFAMS-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 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole?
The IUPAC name of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole (CID 70934583) is 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole.
What is the SMILES notation for 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole?
The canonical SMILES for 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)n2)cc1.
What is the InChIKey of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole?
The InChIKey is VPPRLINZYBFAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N4/c1-4-12-23(13-5-1)31-34-32(24-14-6-2-7-15-24)36-33(35-31)25-20-21-30-28(22-25)27-18-10-11-19-29(27)37(30)26-16-8-3-9-17-26/h1-22H.
What are the key properties of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole?
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole 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 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole is sourced from PubChem (CID 70934583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).