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

C60H41N3 — CID 146595085

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

4-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-phenylphenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline (PubChem CID 146595085) has the molecular formula C60H41N3 and a molecular weight of 804.01 g/mol. Its IUPAC name is 4-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-phenylphenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline.

Molecular Properties

• Compound Name: 4-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-phenylphenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline
• PubChem CID: 146595085
• Molecular Formula: C60H41N3
• Molecular Weight: 804.01 g/mol
• Exact Mass: 803.33
• IUPAC Name: 4-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-phenylphenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline
• SMILES: CC1(C)c2ccccc2-c2cc3c(-c4cc(-c5ccccc5)cc(-c5nc(-c6cccc7ccccc67)cc(-c6cccc7ccccc67)n5)c4)cc(-c4ccccc4)nc3cc21
• InChI: InChI=1S/C60H41N3/c1-60(2)53-30-14-13-27-47(53)51-34-52-50(35-55(41-21-7-4-8-22-41)61-56(52)36-54(51)60)43-31-42(38-17-5-3-6-18-38)32-44(33-43)59-62-57(48-28-15-23-39-19-9-11-25-45(39)48)37-58(63-59)49-29-16-24-40-20-10-12-26-46(40)49/h3-37H,1-2H3
• InChIKey: RZLZOJPBVYEPNF-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-1-ylpyrimidin-2-yl)-5-phenylphenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline?

The IUPAC name of 4-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-phenylphenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline (CID 146595085) is 4-[3-(4,6-dinaphthalen-1-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-1-ylpyrimidin-2-yl)-5-phenylphenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline?

The canonical SMILES for 4-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-phenylphenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline is CC1(C)c2ccccc2-c2cc3c(-c4cc(-c5ccccc5)cc(-c5nc(-c6cccc7ccccc67)cc(-c6cccc7ccccc67)n5)c4)cc(-c4ccccc4)nc3cc21.

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

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

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

4-[3-(4,6-dinaphthalen-1-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-1-ylpyrimidin-2-yl)-5-phenylphenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline is sourced from PubChem (CID 146595085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).