4,10,10-triphenyl-2-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indeno[1,2-g]quinoline

C61H40N4 — CID 137437790

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

4,10,10-triphenyl-2-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indeno[1,2-g]quinoline (PubChem CID 137437790) has the molecular formula C61H40N4 and a molecular weight of 829.02 g/mol. Its IUPAC name is 4,10,10-triphenyl-2-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indeno[1,2-g]quinoline.

Molecular Properties

• Compound Name: 4,10,10-triphenyl-2-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indeno[1,2-g]quinoline
• PubChem CID: 137437790
• Molecular Formula: C61H40N4
• Molecular Weight: 829.02 g/mol
• Exact Mass: 828.33
• IUPAC Name: 4,10,10-triphenyl-2-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indeno[1,2-g]quinoline
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cc(-c6ccccc6)c6cc7c(cc6n5)C(c5ccccc5)(c5ccccc5)c5ccccc5-7)c4)n3)cc2)cc1
• InChI: InChI=1S/C61H40N4/c1-6-19-41(20-7-1)42-33-35-45(36-34-42)59-63-58(44-23-10-3-11-24-44)64-60(65-59)47-26-18-25-46(37-47)56-39-51(43-21-8-2-9-22-43)53-38-52-50-31-16-17-32-54(50)61(48-27-12-4-13-28-48,49-29-14-5-15-30-49)55(52)40-57(53)62-56/h1-40H
• InChIKey: KPRUDOCZKDIUMC-UHFFFAOYSA-N
• XLogP: 14.78
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	829.02
LogP ≤ 5	14.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 4,10,10-triphenyl-2-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indeno[1,2-g]quinoline (CID 137437790) is 4,10,10-triphenyl-2-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indeno[1,2-g]quinoline.

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

The canonical SMILES for 4,10,10-triphenyl-2-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indeno[1,2-g]quinoline is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cc(-c6ccccc6)c6cc7c(cc6n5)C(c5ccccc5)(c5ccccc5)c5ccccc5-7)c4)n3)cc2)cc1.

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

The InChIKey is KPRUDOCZKDIUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N4/c1-6-19-41(20-7-1)42-33-35-45(36-34-42)59-63-58(44-23-10-3-11-24-44)64-60(65-59)47-26-18-25-46(37-47)56-39-51(43-21-8-2-9-22-43)53-38-52-50-31-16-17-32-54(50)61(48-27-12-4-13-28-48,49-29-14-5-15-30-49)55(52)40-57(53)62-56/h1-40H.

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

4,10,10-triphenyl-2-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indeno[1,2-g]quinoline has a molecular weight of 829.02 g/mol, XLogP of 14.78, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4,10,10-triphenyl-2-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indeno[1,2-g]quinoline is sourced from PubChem (CID 137437790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).