12-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole

C57H35N5O — CID 170268456

About 12-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole

12-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole (PubChem CID 170268456) has the molecular formula C57H35N5O and a molecular weight of 805.94 g/mol. Its IUPAC name is 12-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 12-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole
• PubChem CID: 170268456
• Molecular Formula: C57H35N5O
• Molecular Weight: 805.94 g/mol
• Exact Mass: 805.28
• IUPAC Name: 12-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole
• SMILES: c1ccc(-c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccc7oc8ccc(-c9nc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)cc8c7c6)c5c43)cc2)cc1
• InChI: InChI=1S/C57H35N5O/c1-4-14-36(15-5-1)37-24-27-41(28-25-37)61-49-22-12-10-20-43(49)45-30-31-46-44-21-11-13-23-50(44)62(54(46)53(45)61)42-29-33-52-48(35-42)47-34-40(26-32-51(47)63-52)57-59-55(38-16-6-2-7-17-38)58-56(60-57)39-18-8-3-9-19-39/h1-35H
• InChIKey: ZIVILTCDJQZBFB-UHFFFAOYSA-N
• XLogP: 14.63
• TPSA: 61.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	805.94
LogP ≤ 5	14.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 12-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole?

The IUPAC name of 12-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole (CID 170268456) is 12-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole.

What is the SMILES notation for 12-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole?

The canonical SMILES for 12-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccc7oc8ccc(-c9nc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)cc8c7c6)c5c43)cc2)cc1.

What is the InChIKey of 12-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole?

The InChIKey is ZIVILTCDJQZBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N5O/c1-4-14-36(15-5-1)37-24-27-41(28-25-37)61-49-22-12-10-20-43(49)45-30-31-46-44-21-11-13-23-50(44)62(54(46)53(45)61)42-29-33-52-48(35-42)47-34-40(26-32-51(47)63-52)57-59-55(38-16-6-2-7-17-38)58-56(60-57)39-18-8-3-9-19-39/h1-35H.

What are the key properties of 12-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole?

12-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole has a molecular weight of 805.94 g/mol, XLogP of 14.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole is sourced from PubChem (CID 170268456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).