4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10,10-dimethyl-2-(4-phenylphenyl)indeno[1,2-g]quinoline

C55H38N4 — CID 146595180

About 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10,10-dimethyl-2-(4-phenylphenyl)indeno[1,2-g]quinoline

4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10,10-dimethyl-2-(4-phenylphenyl)indeno[1,2-g]quinoline (PubChem CID 146595180) has the molecular formula C55H38N4 and a molecular weight of 754.94 g/mol. Its IUPAC name is 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10,10-dimethyl-2-(4-phenylphenyl)indeno[1,2-g]quinoline.

Molecular Properties

• Compound Name: 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10,10-dimethyl-2-(4-phenylphenyl)indeno[1,2-g]quinoline
• PubChem CID: 146595180
• Molecular Formula: C55H38N4
• Molecular Weight: 754.94 g/mol
• Exact Mass: 754.31
• IUPAC Name: 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10,10-dimethyl-2-(4-phenylphenyl)indeno[1,2-g]quinoline
• SMILES: CC1(C)c2ccccc2-c2cc3c(-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc5ccccc45)cc(-c4ccc(-c5ccccc5)cc4)nc3cc21
• InChI: InChI=1S/C55H38N4/c1-55(2)48-25-15-14-24-43(48)46-32-47-45(33-50(56-51(47)34-49(46)55)37-28-26-36(27-29-37)35-16-6-3-7-17-35)44-31-41(30-40-22-12-13-23-42(40)44)54-58-52(38-18-8-4-9-19-38)57-53(59-54)39-20-10-5-11-21-39/h3-34H,1-2H3
• InChIKey: PZHRWMNDSPLSCO-UHFFFAOYSA-N
• XLogP: 13.88
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	754.94
LogP ≤ 5	13.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10,10-dimethyl-2-(4-phenylphenyl)indeno[1,2-g]quinoline?

The IUPAC name of 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10,10-dimethyl-2-(4-phenylphenyl)indeno[1,2-g]quinoline (CID 146595180) is 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10,10-dimethyl-2-(4-phenylphenyl)indeno[1,2-g]quinoline.

What is the SMILES notation for 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10,10-dimethyl-2-(4-phenylphenyl)indeno[1,2-g]quinoline?

The canonical SMILES for 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10,10-dimethyl-2-(4-phenylphenyl)indeno[1,2-g]quinoline is CC1(C)c2ccccc2-c2cc3c(-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc5ccccc45)cc(-c4ccc(-c5ccccc5)cc4)nc3cc21.

What is the InChIKey of 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10,10-dimethyl-2-(4-phenylphenyl)indeno[1,2-g]quinoline?

The InChIKey is PZHRWMNDSPLSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N4/c1-55(2)48-25-15-14-24-43(48)46-32-47-45(33-50(56-51(47)34-49(46)55)37-28-26-36(27-29-37)35-16-6-3-7-17-35)44-31-41(30-40-22-12-13-23-42(40)44)54-58-52(38-18-8-4-9-19-38)57-53(59-54)39-20-10-5-11-21-39/h3-34H,1-2H3.

What are the key properties of 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10,10-dimethyl-2-(4-phenylphenyl)indeno[1,2-g]quinoline?

4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10,10-dimethyl-2-(4-phenylphenyl)indeno[1,2-g]quinoline has a molecular weight of 754.94 g/mol, XLogP of 13.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10,10-dimethyl-2-(4-phenylphenyl)indeno[1,2-g]quinoline is sourced from PubChem (CID 146595180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).