5-[4-[6-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-phenylpyrimidin-4-yl]phenyl]-1,3-dimethylbenzimidazol-2-one

C44H34N4O — CID 167485277

About 5-[4-[6-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-phenylpyrimidin-4-yl]phenyl]-1,3-dimethylbenzimidazol-2-one

5-[4-[6-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-phenylpyrimidin-4-yl]phenyl]-1,3-dimethylbenzimidazol-2-one (PubChem CID 167485277) has the molecular formula C44H34N4O and a molecular weight of 634.78 g/mol. Its IUPAC name is 5-[4-[6-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-phenylpyrimidin-4-yl]phenyl]-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

• Compound Name: 5-[4-[6-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-phenylpyrimidin-4-yl]phenyl]-1,3-dimethylbenzimidazol-2-one
• PubChem CID: 167485277
• Molecular Formula: C44H34N4O
• Molecular Weight: 634.78 g/mol
• Exact Mass: 634.27
• IUPAC Name: 5-[4-[6-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-phenylpyrimidin-4-yl]phenyl]-1,3-dimethylbenzimidazol-2-one
• SMILES: Cn1c(=O)n(C)c2cc(-c3ccc(-c4cc(-c5ccc6c(c5)C(C)(C)c5ccc7ccccc7c5-6)nc(-c5ccccc5)n4)cc3)ccc21
• InChI: InChI=1S/C44H34N4O/c1-44(2)35-22-19-28-10-8-9-13-33(28)41(35)34-21-18-32(24-36(34)44)38-26-37(45-42(46-38)30-11-6-5-7-12-30)29-16-14-27(15-17-29)31-20-23-39-40(25-31)48(4)43(49)47(39)3/h5-26H,1-4H3
• InChIKey: KNOUJEAQGZOARM-UHFFFAOYSA-N
• XLogP: 9.79
• TPSA: 52.71 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	634.78
LogP ≤ 5	9.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[4-[6-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-phenylpyrimidin-4-yl]phenyl]-1,3-dimethylbenzimidazol-2-one?

The IUPAC name of 5-[4-[6-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-phenylpyrimidin-4-yl]phenyl]-1,3-dimethylbenzimidazol-2-one (CID 167485277) is 5-[4-[6-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-phenylpyrimidin-4-yl]phenyl]-1,3-dimethylbenzimidazol-2-one.

What is the SMILES notation for 5-[4-[6-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-phenylpyrimidin-4-yl]phenyl]-1,3-dimethylbenzimidazol-2-one?

The canonical SMILES for 5-[4-[6-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-phenylpyrimidin-4-yl]phenyl]-1,3-dimethylbenzimidazol-2-one is Cn1c(=O)n(C)c2cc(-c3ccc(-c4cc(-c5ccc6c(c5)C(C)(C)c5ccc7ccccc7c5-6)nc(-c5ccccc5)n4)cc3)ccc21.

What is the InChIKey of 5-[4-[6-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-phenylpyrimidin-4-yl]phenyl]-1,3-dimethylbenzimidazol-2-one?

The InChIKey is KNOUJEAQGZOARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34N4O/c1-44(2)35-22-19-28-10-8-9-13-33(28)41(35)34-21-18-32(24-36(34)44)38-26-37(45-42(46-38)30-11-6-5-7-12-30)29-16-14-27(15-17-29)31-20-23-39-40(25-31)48(4)43(49)47(39)3/h5-26H,1-4H3.

What are the key properties of 5-[4-[6-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-phenylpyrimidin-4-yl]phenyl]-1,3-dimethylbenzimidazol-2-one?

5-[4-[6-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-phenylpyrimidin-4-yl]phenyl]-1,3-dimethylbenzimidazol-2-one has a molecular weight of 634.78 g/mol, XLogP of 9.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[6-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-phenylpyrimidin-4-yl]phenyl]-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 167485277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).