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

C55H35N5 — CID 167203592

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

12-[4-(3-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(2-phenylphenyl)indolo[2,3-a]carbazole (PubChem CID 167203592) has the molecular formula C55H35N5 and a molecular weight of 765.92 g/mol. Its IUPAC name is 12-[4-(3-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(2-phenylphenyl)indolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 12-[4-(3-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(2-phenylphenyl)indolo[2,3-a]carbazole
• PubChem CID: 167203592
• Molecular Formula: C55H35N5
• Molecular Weight: 765.92 g/mol
• Exact Mass: 765.29
• IUPAC Name: 12-[4-(3-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(2-phenylphenyl)indolo[2,3-a]carbazole
• SMILES: c1ccc(-c2nc(-c3cccc(-c4cccc5ccccc45)c3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6-c6ccccc6)c5c43)n2)cc1
• InChI: InChI=1S/C55H35N5/c1-3-17-37(18-4-1)43-26-9-12-30-48(43)59-49-31-13-10-27-44(49)46-33-34-47-45-28-11-14-32-50(45)60(52(47)51(46)59)55-57-53(38-20-5-2-6-21-38)56-54(58-55)40-24-15-23-39(35-40)42-29-16-22-36-19-7-8-25-41(36)42/h1-35H
• InChIKey: XMRUCDDWCINIFC-UHFFFAOYSA-N
• XLogP: 13.89
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	765.92
LogP ≤ 5	13.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 12-[4-(3-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(2-phenylphenyl)indolo[2,3-a]carbazole (CID 167203592) is 12-[4-(3-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(2-phenylphenyl)indolo[2,3-a]carbazole.

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

The canonical SMILES for 12-[4-(3-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(2-phenylphenyl)indolo[2,3-a]carbazole is c1ccc(-c2nc(-c3cccc(-c4cccc5ccccc45)c3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6-c6ccccc6)c5c43)n2)cc1.

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

The InChIKey is XMRUCDDWCINIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N5/c1-3-17-37(18-4-1)43-26-9-12-30-48(43)59-49-31-13-10-27-44(49)46-33-34-47-45-28-11-14-32-50(45)60(52(47)51(46)59)55-57-53(38-20-5-2-6-21-38)56-54(58-55)40-24-15-23-39(35-40)42-29-16-22-36-19-7-8-25-41(36)42/h1-35H.

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

12-[4-(3-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(2-phenylphenyl)indolo[2,3-a]carbazole has a molecular weight of 765.92 g/mol, XLogP of 13.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[4-(3-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(2-phenylphenyl)indolo[2,3-a]carbazole is sourced from PubChem (CID 167203592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).