3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methyl-11-phenyl-[1]benzofuro[3,2-b]carbazole

C40H26N4O — CID 163656079

IUPAC3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methyl-11-phenyl-[1]benzofuro[3,2-b]carbazole
SMILESCc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc2oc3cc4c5ccccc5n(-c5ccccc5)c4cc3c12
InChIInChI=1S/C40H26N4O/c1-25-21-28(40-42-38(26-13-5-2-6-14-26)41-39(43-40)27-15-7-3-8-16-27)22-36-37(25)32-23-34-31(24-35(32)45-36)30-19-11-12-20-33(30)44(34)29-17-9-4-10-18-29/h2-24H,1H3
InChIKeyNYFQSPNAZVSKMS-UHFFFAOYSA-N
MW578.68 g/mol
LogP10.18
Rot. Bonds4

About 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methyl-11-phenyl-[1]benzofuro[3,2-b]carbazole

3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methyl-11-phenyl-[1]benzofuro[3,2-b]carbazole (PubChem CID 163656079) has the molecular formula C40H26N4O and a molecular weight of 578.68 g/mol. Its IUPAC name is 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methyl-11-phenyl-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

Compound Name3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methyl-11-phenyl-[1]benzofuro[3,2-b]carbazole
PubChem CID163656079
Molecular FormulaC40H26N4O
Molecular Weight578.68 g/mol
Exact Mass578.21
IUPAC Name3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methyl-11-phenyl-[1]benzofuro[3,2-b]carbazole
SMILESCc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc2oc3cc4c5ccccc5n(-c5ccccc5)c4cc3c12
InChIInChI=1S/C40H26N4O/c1-25-21-28(40-42-38(26-13-5-2-6-14-26)41-39(43-40)27-15-7-3-8-16-27)22-36-37(25)32-23-34-31(24-35(32)45-36)30-19-11-12-20-33(30)44(34)29-17-9-4-10-18-29/h2-24H,1H3
InChIKeyNYFQSPNAZVSKMS-UHFFFAOYSA-N
XLogP10.18
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.68
LogP ≤ 510.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methyl-11-phenyl-[1]benzofuro[3,2-b]carbazole 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-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methyl-11-phenyl-[1]benzofuro[3,2-b]carbazole?
The IUPAC name of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methyl-11-phenyl-[1]benzofuro[3,2-b]carbazole (CID 163656079) is 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methyl-11-phenyl-[1]benzofuro[3,2-b]carbazole.
What is the SMILES notation for 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methyl-11-phenyl-[1]benzofuro[3,2-b]carbazole?
The canonical SMILES for 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methyl-11-phenyl-[1]benzofuro[3,2-b]carbazole is Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc2oc3cc4c5ccccc5n(-c5ccccc5)c4cc3c12.
What is the InChIKey of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methyl-11-phenyl-[1]benzofuro[3,2-b]carbazole?
The InChIKey is NYFQSPNAZVSKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N4O/c1-25-21-28(40-42-38(26-13-5-2-6-14-26)41-39(43-40)27-15-7-3-8-16-27)22-36-37(25)32-23-34-31(24-35(32)45-36)30-19-11-12-20-33(30)44(34)29-17-9-4-10-18-29/h2-24H,1H3.
What are the key properties of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methyl-11-phenyl-[1]benzofuro[3,2-b]carbazole?
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methyl-11-phenyl-[1]benzofuro[3,2-b]carbazole has a molecular weight of 578.68 g/mol, XLogP of 10.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methyl-11-phenyl-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 163656079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).