2-[4-[9,9-dimethyl-2-[4-(4-phenylphenyl)-2-pyridinyl]fluoren-4-yl]-1-phenylbenzimidazol-2-yl]phenol

C51H37N3O — CID 162783135

About 2-[4-[9,9-dimethyl-2-[4-(4-phenylphenyl)-2-pyridinyl]fluoren-4-yl]-1-phenylbenzimidazol-2-yl]phenol

2-[4-[9,9-dimethyl-2-[4-(4-phenylphenyl)-2-pyridinyl]fluoren-4-yl]-1-phenylbenzimidazol-2-yl]phenol (PubChem CID 162783135) has the molecular formula C51H37N3O and a molecular weight of 707.88 g/mol. Its IUPAC name is 2-[4-[9,9-dimethyl-2-[4-(4-phenylphenyl)-2-pyridinyl]fluoren-4-yl]-1-phenylbenzimidazol-2-yl]phenol.

Molecular Properties

• Compound Name: 2-[4-[9,9-dimethyl-2-[4-(4-phenylphenyl)-2-pyridinyl]fluoren-4-yl]-1-phenylbenzimidazol-2-yl]phenol
• PubChem CID: 162783135
• Molecular Formula: C51H37N3O
• Molecular Weight: 707.88 g/mol
• Exact Mass: 707.29
• IUPAC Name: 2-[4-[9,9-dimethyl-2-[4-(4-phenylphenyl)-2-pyridinyl]fluoren-4-yl]-1-phenylbenzimidazol-2-yl]phenol
• SMILES: CC1(C)c2ccccc2-c2c(-c3cccc4c3nc(-c3ccccc3O)n4-c3ccccc3)cc(-c3cc(-c4ccc(-c5ccccc5)cc4)ccn3)cc21
• InChI: InChI=1S/C51H37N3O/c1-51(2)43-21-11-9-18-40(43)48-42(39-20-13-22-46-49(39)53-50(41-19-10-12-23-47(41)55)54(46)38-16-7-4-8-17-38)30-37(31-44(48)51)45-32-36(28-29-52-45)35-26-24-34(25-27-35)33-14-5-3-6-15-33/h3-32,55H,1-2H3
• InChIKey: MTIOPSWLWYBLDH-UHFFFAOYSA-N
• XLogP: 12.77
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	707.88
LogP ≤ 5	12.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[4-[9,9-dimethyl-2-[4-(4-phenylphenyl)-2-pyridinyl]fluoren-4-yl]-1-phenylbenzimidazol-2-yl]phenol?

The IUPAC name of 2-[4-[9,9-dimethyl-2-[4-(4-phenylphenyl)-2-pyridinyl]fluoren-4-yl]-1-phenylbenzimidazol-2-yl]phenol (CID 162783135) is 2-[4-[9,9-dimethyl-2-[4-(4-phenylphenyl)-2-pyridinyl]fluoren-4-yl]-1-phenylbenzimidazol-2-yl]phenol.

What is the SMILES notation for 2-[4-[9,9-dimethyl-2-[4-(4-phenylphenyl)-2-pyridinyl]fluoren-4-yl]-1-phenylbenzimidazol-2-yl]phenol?

The canonical SMILES for 2-[4-[9,9-dimethyl-2-[4-(4-phenylphenyl)-2-pyridinyl]fluoren-4-yl]-1-phenylbenzimidazol-2-yl]phenol is CC1(C)c2ccccc2-c2c(-c3cccc4c3nc(-c3ccccc3O)n4-c3ccccc3)cc(-c3cc(-c4ccc(-c5ccccc5)cc4)ccn3)cc21.

What is the InChIKey of 2-[4-[9,9-dimethyl-2-[4-(4-phenylphenyl)-2-pyridinyl]fluoren-4-yl]-1-phenylbenzimidazol-2-yl]phenol?

The InChIKey is MTIOPSWLWYBLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37N3O/c1-51(2)43-21-11-9-18-40(43)48-42(39-20-13-22-46-49(39)53-50(41-19-10-12-23-47(41)55)54(46)38-16-7-4-8-17-38)30-37(31-44(48)51)45-32-36(28-29-52-45)35-26-24-34(25-27-35)33-14-5-3-6-15-33/h3-32,55H,1-2H3.

What are the key properties of 2-[4-[9,9-dimethyl-2-[4-(4-phenylphenyl)-2-pyridinyl]fluoren-4-yl]-1-phenylbenzimidazol-2-yl]phenol?

2-[4-[9,9-dimethyl-2-[4-(4-phenylphenyl)-2-pyridinyl]fluoren-4-yl]-1-phenylbenzimidazol-2-yl]phenol has a molecular weight of 707.88 g/mol, XLogP of 12.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[9,9-dimethyl-2-[4-(4-phenylphenyl)-2-pyridinyl]fluoren-4-yl]-1-phenylbenzimidazol-2-yl]phenol is sourced from PubChem (CID 162783135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).