4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-2-naphthalen-1-yl-6-(2-phenylphenyl)pyrimidine

C55H38N2 — CID 168778339

About 4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-2-naphthalen-1-yl-6-(2-phenylphenyl)pyrimidine

4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-2-naphthalen-1-yl-6-(2-phenylphenyl)pyrimidine (PubChem CID 168778339) has the molecular formula C55H38N2 and a molecular weight of 726.92 g/mol. Its IUPAC name is 4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-2-naphthalen-1-yl-6-(2-phenylphenyl)pyrimidine.

Molecular Properties

• Compound Name: 4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-2-naphthalen-1-yl-6-(2-phenylphenyl)pyrimidine
• PubChem CID: 168778339
• Molecular Formula: C55H38N2
• Molecular Weight: 726.92 g/mol
• Exact Mass: 726.30
• IUPAC Name: 4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-2-naphthalen-1-yl-6-(2-phenylphenyl)pyrimidine
• SMILES: CC1(C)c2ccc(-c3ccc(-c4cc(-c5ccccc5-c5ccccc5)nc(-c5cccc6ccccc56)n4)c4ccccc34)cc2-c2c1ccc1ccccc21
• InChI: InChI=1S/C55H38N2/c1-55(2)49-31-28-38(33-48(49)53-42-22-9-7-18-37(42)27-32-50(53)55)41-29-30-46(44-24-12-11-23-43(41)44)52-34-51(45-25-13-10-20-39(45)35-15-4-3-5-16-35)56-54(57-52)47-26-14-19-36-17-6-8-21-40(36)47/h3-34H,1-2H3
• InChIKey: CAOQJXCNUTWEML-UHFFFAOYSA-N
• XLogP: 14.58
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	726.92
LogP ≤ 5	14.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-2-naphthalen-1-yl-6-(2-phenylphenyl)pyrimidine?

The IUPAC name of 4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-2-naphthalen-1-yl-6-(2-phenylphenyl)pyrimidine (CID 168778339) is 4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-2-naphthalen-1-yl-6-(2-phenylphenyl)pyrimidine.

What is the SMILES notation for 4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-2-naphthalen-1-yl-6-(2-phenylphenyl)pyrimidine?

The canonical SMILES for 4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-2-naphthalen-1-yl-6-(2-phenylphenyl)pyrimidine is CC1(C)c2ccc(-c3ccc(-c4cc(-c5ccccc5-c5ccccc5)nc(-c5cccc6ccccc56)n4)c4ccccc34)cc2-c2c1ccc1ccccc21.

What is the InChIKey of 4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-2-naphthalen-1-yl-6-(2-phenylphenyl)pyrimidine?

The InChIKey is CAOQJXCNUTWEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N2/c1-55(2)49-31-28-38(33-48(49)53-42-22-9-7-18-37(42)27-32-50(53)55)41-29-30-46(44-24-12-11-23-43(41)44)52-34-51(45-25-13-10-20-39(45)35-15-4-3-5-16-35)56-54(57-52)47-26-14-19-36-17-6-8-21-40(36)47/h3-34H,1-2H3.

What are the key properties of 4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-2-naphthalen-1-yl-6-(2-phenylphenyl)pyrimidine?

4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-2-naphthalen-1-yl-6-(2-phenylphenyl)pyrimidine has a molecular weight of 726.92 g/mol, XLogP of 14.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-2-naphthalen-1-yl-6-(2-phenylphenyl)pyrimidine is sourced from PubChem (CID 168778339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).