4-[3-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-5-phenylphenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline

C60H41N3 — CID 146595057

About 4-[3-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-5-phenylphenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline

4-[3-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-5-phenylphenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline (PubChem CID 146595057) has the molecular formula C60H41N3 and a molecular weight of 804.01 g/mol. Its IUPAC name is 4-[3-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-5-phenylphenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline.

Molecular Properties

• Compound Name: 4-[3-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-5-phenylphenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline
• PubChem CID: 146595057
• Molecular Formula: C60H41N3
• Molecular Weight: 804.01 g/mol
• Exact Mass: 803.33
• IUPAC Name: 4-[3-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-5-phenylphenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline
• SMILES: CC1(C)c2ccccc2-c2cc3c(-c4cc(-c5ccccc5)cc(-c5nc(-c6ccc7ccccc7c6)cc(-c6ccc7ccccc7c6)n5)c4)cc(-c4ccccc4)nc3cc21
• InChI: InChI=1S/C60H41N3/c1-60(2)53-24-14-13-23-49(53)51-34-52-50(35-55(41-19-7-4-8-20-41)61-58(52)36-54(51)60)47-31-46(38-15-5-3-6-16-38)32-48(33-47)59-62-56(44-27-25-39-17-9-11-21-42(39)29-44)37-57(63-59)45-28-26-40-18-10-12-22-43(40)30-45/h3-37H,1-2H3
• InChIKey: OTTKSJUZDPLAQQ-UHFFFAOYSA-N
• XLogP: 15.64
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	804.01
LogP ≤ 5	15.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-5-phenylphenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline?

The IUPAC name of 4-[3-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-5-phenylphenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline (CID 146595057) is 4-[3-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-5-phenylphenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline.

What is the SMILES notation for 4-[3-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-5-phenylphenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline?

The canonical SMILES for 4-[3-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-5-phenylphenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline is CC1(C)c2ccccc2-c2cc3c(-c4cc(-c5ccccc5)cc(-c5nc(-c6ccc7ccccc7c6)cc(-c6ccc7ccccc7c6)n5)c4)cc(-c4ccccc4)nc3cc21.

What is the InChIKey of 4-[3-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-5-phenylphenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline?

The InChIKey is OTTKSJUZDPLAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N3/c1-60(2)53-24-14-13-23-49(53)51-34-52-50(35-55(41-19-7-4-8-20-41)61-58(52)36-54(51)60)47-31-46(38-15-5-3-6-16-38)32-48(33-47)59-62-56(44-27-25-39-17-9-11-21-42(39)29-44)37-57(63-59)45-28-26-40-18-10-12-22-43(40)30-45/h3-37H,1-2H3.

What are the key properties of 4-[3-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-5-phenylphenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline?

4-[3-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-5-phenylphenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline has a molecular weight of 804.01 g/mol, XLogP of 15.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-5-phenylphenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline is sourced from PubChem (CID 146595057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).