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

C55H38N4 — CID 146595079

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

4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,10-dimethyl-2-naphthalen-1-ylindeno[1,2-g]quinoline (PubChem CID 146595079) has the molecular formula C55H38N4 and a molecular weight of 754.94 g/mol. Its IUPAC name is 4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,10-dimethyl-2-naphthalen-1-ylindeno[1,2-g]quinoline.

Molecular Properties

• Compound Name: 4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,10-dimethyl-2-naphthalen-1-ylindeno[1,2-g]quinoline
• PubChem CID: 146595079
• Molecular Formula: C55H38N4
• Molecular Weight: 754.94 g/mol
• Exact Mass: 754.31
• IUPAC Name: 4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,10-dimethyl-2-naphthalen-1-ylindeno[1,2-g]quinoline
• SMILES: CC1(C)c2ccccc2-c2cc3c(-c4ccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cc4)cc(-c4cccc5ccccc45)nc3cc21
• InChI: InChI=1S/C55H38N4/c1-55(2)48-26-12-11-24-43(48)46-32-47-45(33-50(56-51(47)34-49(46)55)44-25-14-20-36-15-9-10-23-42(36)44)37-29-27-35(28-30-37)40-21-13-22-41(31-40)54-58-52(38-16-5-3-6-17-38)57-53(59-54)39-18-7-4-8-19-39/h3-34H,1-2H3
• InChIKey: FZDJVUXMLWTMQW-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-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,10-dimethyl-2-naphthalen-1-ylindeno[1,2-g]quinoline?

The IUPAC name of 4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,10-dimethyl-2-naphthalen-1-ylindeno[1,2-g]quinoline (CID 146595079) is 4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,10-dimethyl-2-naphthalen-1-ylindeno[1,2-g]quinoline.

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

The canonical SMILES for 4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,10-dimethyl-2-naphthalen-1-ylindeno[1,2-g]quinoline is CC1(C)c2ccccc2-c2cc3c(-c4ccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cc4)cc(-c4cccc5ccccc45)nc3cc21.

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

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

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

4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,10-dimethyl-2-naphthalen-1-ylindeno[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-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,10-dimethyl-2-naphthalen-1-ylindeno[1,2-g]quinoline is sourced from PubChem (CID 146595079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).