3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-9-phenylpyrido[3,4-b]indole

C44H28N6 — CID 129221532

IUPAC3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-9-phenylpyrido[3,4-b]indole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cccc(-c5cc6c7ccccc7n(-c7ccccc7)c6cn5)c43)n2)cc1
InChIInChI=1S/C44H28N6/c1-4-15-29(16-5-1)42-46-43(30-17-6-2-7-18-30)48-44(47-42)50-39-26-13-10-21-32(39)34-23-14-24-35(41(34)50)37-27-36-33-22-11-12-25-38(33)49(40(36)28-45-37)31-19-8-3-9-20-31/h1-28H
InChIKeyUSRURNXZBNIDDI-UHFFFAOYSA-N
MW640.75 g/mol
LogP10.46
Rot. Bonds5

About 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-9-phenylpyrido[3,4-b]indole

3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-9-phenylpyrido[3,4-b]indole (PubChem CID 129221532) has the molecular formula C44H28N6 and a molecular weight of 640.75 g/mol. Its IUPAC name is 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-9-phenylpyrido[3,4-b]indole.

Molecular Properties

Compound Name3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-9-phenylpyrido[3,4-b]indole
PubChem CID129221532
Molecular FormulaC44H28N6
Molecular Weight640.75 g/mol
Exact Mass640.24
IUPAC Name3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-9-phenylpyrido[3,4-b]indole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cccc(-c5cc6c7ccccc7n(-c7ccccc7)c6cn5)c43)n2)cc1
InChIInChI=1S/C44H28N6/c1-4-15-29(16-5-1)42-46-43(30-17-6-2-7-18-30)48-44(47-42)50-39-26-13-10-21-32(39)34-23-14-24-35(41(34)50)37-27-36-33-22-11-12-25-38(33)49(40(36)28-45-37)31-19-8-3-9-20-31/h1-28H
InChIKeyUSRURNXZBNIDDI-UHFFFAOYSA-N
XLogP10.46
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.75
LogP ≤ 510.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-9-phenylpyrido[3,4-b]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-9-phenylpyrido[3,4-b]indole?
The IUPAC name of 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-9-phenylpyrido[3,4-b]indole (CID 129221532) is 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-9-phenylpyrido[3,4-b]indole.
What is the SMILES notation for 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-9-phenylpyrido[3,4-b]indole?
The canonical SMILES for 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-9-phenylpyrido[3,4-b]indole is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cccc(-c5cc6c7ccccc7n(-c7ccccc7)c6cn5)c43)n2)cc1.
What is the InChIKey of 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-9-phenylpyrido[3,4-b]indole?
The InChIKey is USRURNXZBNIDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N6/c1-4-15-29(16-5-1)42-46-43(30-17-6-2-7-18-30)48-44(47-42)50-39-26-13-10-21-32(39)34-23-14-24-35(41(34)50)37-27-36-33-22-11-12-25-38(33)49(40(36)28-45-37)31-19-8-3-9-20-31/h1-28H.
What are the key properties of 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-9-phenylpyrido[3,4-b]indole?
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-9-phenylpyrido[3,4-b]indole has a molecular weight of 640.75 g/mol, XLogP of 10.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-9-phenylpyrido[3,4-b]indole is sourced from PubChem (CID 129221532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).