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

C47H31N5 — CID 145105537

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

9-[3-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)indol-2-yl]phenyl]phenyl]carbazole (PubChem CID 145105537) has the molecular formula C47H31N5 and a molecular weight of 665.80 g/mol. Its IUPAC name is 9-[3-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)indol-2-yl]phenyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[3-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)indol-2-yl]phenyl]phenyl]carbazole
• PubChem CID: 145105537
• Molecular Formula: C47H31N5
• Molecular Weight: 665.80 g/mol
• Exact Mass: 665.26
• IUPAC Name: 9-[3-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)indol-2-yl]phenyl]phenyl]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-n3c(-c4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4)cc4ccccc43)n2)cc1
• InChI: InChI=1S/C47H31N5/c1-3-14-34(15-4-1)45-48-46(35-16-5-2-6-17-35)50-47(49-45)52-41-23-10-7-18-37(41)31-44(52)33-28-26-32(27-29-33)36-19-13-20-38(30-36)51-42-24-11-8-21-39(42)40-22-9-12-25-43(40)51/h1-31H
• InChIKey: NHGPVRAPOSZELY-UHFFFAOYSA-N
• XLogP: 11.58
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	665.80
LogP ≤ 5	11.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)indol-2-yl]phenyl]phenyl]carbazole?

The IUPAC name of 9-[3-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)indol-2-yl]phenyl]phenyl]carbazole (CID 145105537) is 9-[3-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)indol-2-yl]phenyl]phenyl]carbazole.

What is the SMILES notation for 9-[3-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)indol-2-yl]phenyl]phenyl]carbazole?

The canonical SMILES for 9-[3-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)indol-2-yl]phenyl]phenyl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-n3c(-c4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4)cc4ccccc43)n2)cc1.

What is the InChIKey of 9-[3-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)indol-2-yl]phenyl]phenyl]carbazole?

The InChIKey is NHGPVRAPOSZELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N5/c1-3-14-34(15-4-1)45-48-46(35-16-5-2-6-17-35)50-47(49-45)52-41-23-10-7-18-37(41)31-44(52)33-28-26-32(27-29-33)36-19-13-20-38(30-36)51-42-24-11-8-21-39(42)40-22-9-12-25-43(40)51/h1-31H.

What are the key properties of 9-[3-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)indol-2-yl]phenyl]phenyl]carbazole?

9-[3-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)indol-2-yl]phenyl]phenyl]carbazole has a molecular weight of 665.80 g/mol, XLogP of 11.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)indol-2-yl]phenyl]phenyl]carbazole is sourced from PubChem (CID 145105537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).