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

C39H26N4 — CID 118330171

IUPAC9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c3)n2)cc1
InChIInChI=1S/C39H26N4/c1-3-13-27(14-4-1)37-40-38(28-15-5-2-6-16-28)42-39(41-37)31-19-11-17-29(25-31)30-18-12-20-32(26-30)43-35-23-9-7-21-33(35)34-22-8-10-24-36(34)43/h1-26H
InChIKeyJXRJWKCXUSLMKK-UHFFFAOYSA-N
MW550.67 g/mol
LogP9.64
Rot. Bonds5

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

9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole (PubChem CID 118330171) has the molecular formula C39H26N4 and a molecular weight of 550.67 g/mol. Its IUPAC name is 9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
PubChem CID118330171
Molecular FormulaC39H26N4
Molecular Weight550.67 g/mol
Exact Mass550.22
IUPAC Name9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c3)n2)cc1
InChIInChI=1S/C39H26N4/c1-3-13-27(14-4-1)37-40-38(28-15-5-2-6-16-28)42-39(41-37)31-19-11-17-29(25-31)30-18-12-20-32(26-30)43-35-23-9-7-21-33(35)34-22-8-10-24-36(34)43/h1-26H
InChIKeyJXRJWKCXUSLMKK-UHFFFAOYSA-N
XLogP9.64
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.67
LogP ≤ 59.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole?
The IUPAC name of 9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole (CID 118330171) is 9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole.
What is the SMILES notation for 9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole?
The canonical SMILES for 9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c3)n2)cc1.
What is the InChIKey of 9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole?
The InChIKey is JXRJWKCXUSLMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N4/c1-3-13-27(14-4-1)37-40-38(28-15-5-2-6-16-28)42-39(41-37)31-19-11-17-29(25-31)30-18-12-20-32(26-30)43-35-23-9-7-21-33(35)34-22-8-10-24-36(34)43/h1-26H.
What are the key properties of 9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole?
9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole has a molecular weight of 550.67 g/mol, XLogP of 9.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 118330171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).