5,6,11-triphenyl-12-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole

C63H41N5 — CID 164799969

About 5,6,11-triphenyl-12-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole

5,6,11-triphenyl-12-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (PubChem CID 164799969) has the molecular formula C63H41N5 and a molecular weight of 868.06 g/mol. Its IUPAC name is 5,6,11-triphenyl-12-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 5,6,11-triphenyl-12-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
• PubChem CID: 164799969
• Molecular Formula: C63H41N5
• Molecular Weight: 868.06 g/mol
• Exact Mass: 867.34
• IUPAC Name: 5,6,11-triphenyl-12-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
• SMILES: c1ccc(-c2ccc(-c3cccc(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6c(-c7ccccc7)c(-c7ccccc7)c7c8ccccc8n(-c8ccccc8)c7c65)n4)c3)cc2)cc1
• InChI: InChI=1S/C63H41N5/c1-6-21-42(22-7-1)43-37-39-44(40-38-43)48-29-20-30-49(41-48)62-64-61(47-27-12-4-13-28-47)65-63(66-62)68-54-36-19-17-34-52(54)58-56(46-25-10-3-11-26-46)55(45-23-8-2-9-24-45)57-51-33-16-18-35-53(51)67(59(57)60(58)68)50-31-14-5-15-32-50/h1-41H
• InChIKey: DAKMENGOTBVQAX-UHFFFAOYSA-N
• XLogP: 16.07
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	868.06
LogP ≤ 5	16.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5,6,11-triphenyl-12-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?

The IUPAC name of 5,6,11-triphenyl-12-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (CID 164799969) is 5,6,11-triphenyl-12-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.

What is the SMILES notation for 5,6,11-triphenyl-12-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?

The canonical SMILES for 5,6,11-triphenyl-12-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole is c1ccc(-c2ccc(-c3cccc(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6c(-c7ccccc7)c(-c7ccccc7)c7c8ccccc8n(-c8ccccc8)c7c65)n4)c3)cc2)cc1.

What is the InChIKey of 5,6,11-triphenyl-12-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?

The InChIKey is DAKMENGOTBVQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H41N5/c1-6-21-42(22-7-1)43-37-39-44(40-38-43)48-29-20-30-49(41-48)62-64-61(47-27-12-4-13-28-47)65-63(66-62)68-54-36-19-17-34-52(54)58-56(46-25-10-3-11-26-46)55(45-23-8-2-9-24-45)57-51-33-16-18-35-53(51)67(59(57)60(58)68)50-31-14-5-15-32-50/h1-41H.

What are the key properties of 5,6,11-triphenyl-12-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?

5,6,11-triphenyl-12-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole has a molecular weight of 868.06 g/mol, XLogP of 16.07, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5,6,11-triphenyl-12-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole is sourced from PubChem (CID 164799969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).