[(4R,5R)-2-[2-bis(3,5-difluorophenyl)phosphanylphenyl]-4,5-bis(3,5-difluorophenyl)-4,5-dihydroimidazol-1-yl]-naphthalen-2-ylmethanone

C44H25F8N2OP — CID 11422884

About [(4R,5R)-2-[2-bis(3,5-difluorophenyl)phosphanylphenyl]-4,5-bis(3,5-difluorophenyl)-4,5-dihydroimidazol-1-yl]-naphthalen-2-ylmethanone

[(4R,5R)-2-[2-bis(3,5-difluorophenyl)phosphanylphenyl]-4,5-bis(3,5-difluorophenyl)-4,5-dihydroimidazol-1-yl]-naphthalen-2-ylmethanone (PubChem CID 11422884) has the molecular formula C44H25F8N2OP and a molecular weight of 780.66 g/mol. Its IUPAC name is [(4R,5R)-2-[2-bis(3,5-difluorophenyl)phosphanylphenyl]-4,5-bis(3,5-difluorophenyl)-4,5-dihydroimidazol-1-yl]-naphthalen-2-ylmethanone.

Molecular Properties

• Compound Name: [(4R,5R)-2-[2-bis(3,5-difluorophenyl)phosphanylphenyl]-4,5-bis(3,5-difluorophenyl)-4,5-dihydroimidazol-1-yl]-naphthalen-2-ylmethanone
• PubChem CID: 11422884
• Molecular Formula: C44H25F8N2OP
• Molecular Weight: 780.66 g/mol
• Exact Mass: 780.16
• IUPAC Name: [(4R,5R)-2-[2-bis(3,5-difluorophenyl)phosphanylphenyl]-4,5-bis(3,5-difluorophenyl)-4,5-dihydroimidazol-1-yl]-naphthalen-2-ylmethanone
• SMILES: O=C(c1ccc2ccccc2c1)N1C(c2ccccc2P(c2cc(F)cc(F)c2)c2cc(F)cc(F)c2)=N[C@H](c2cc(F)cc(F)c2)[C@H]1c1cc(F)cc(F)c1
• InChI: InChI=1S/C44H25F8N2OP/c45-29-12-27(13-30(46)16-29)41-42(28-14-31(47)17-32(48)15-28)54(44(55)26-10-9-24-5-1-2-6-25(24)11-26)43(53-41)39-7-3-4-8-40(39)56(37-20-33(49)18-34(50)21-37)38-22-35(51)19-36(52)23-38/h1-23,41-42H/t41-,42-/m1/s1
• InChIKey: FIIGQIYHQGSLNX-NCRNUEESSA-N
• XLogP: 10.10
• TPSA: 32.67 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	780.66
LogP ≤ 5	10.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(4R,5R)-2-[2-bis(3,5-difluorophenyl)phosphanylphenyl]-4,5-bis(3,5-difluorophenyl)-4,5-dihydroimidazol-1-yl]-naphthalen-2-ylmethanone?

The IUPAC name of [(4R,5R)-2-[2-bis(3,5-difluorophenyl)phosphanylphenyl]-4,5-bis(3,5-difluorophenyl)-4,5-dihydroimidazol-1-yl]-naphthalen-2-ylmethanone (CID 11422884) is [(4R,5R)-2-[2-bis(3,5-difluorophenyl)phosphanylphenyl]-4,5-bis(3,5-difluorophenyl)-4,5-dihydroimidazol-1-yl]-naphthalen-2-ylmethanone.

What is the SMILES notation for [(4R,5R)-2-[2-bis(3,5-difluorophenyl)phosphanylphenyl]-4,5-bis(3,5-difluorophenyl)-4,5-dihydroimidazol-1-yl]-naphthalen-2-ylmethanone?

The canonical SMILES for [(4R,5R)-2-[2-bis(3,5-difluorophenyl)phosphanylphenyl]-4,5-bis(3,5-difluorophenyl)-4,5-dihydroimidazol-1-yl]-naphthalen-2-ylmethanone is O=C(c1ccc2ccccc2c1)N1C(c2ccccc2P(c2cc(F)cc(F)c2)c2cc(F)cc(F)c2)=N[C@H](c2cc(F)cc(F)c2)[C@H]1c1cc(F)cc(F)c1.

What is the InChIKey of [(4R,5R)-2-[2-bis(3,5-difluorophenyl)phosphanylphenyl]-4,5-bis(3,5-difluorophenyl)-4,5-dihydroimidazol-1-yl]-naphthalen-2-ylmethanone?

The InChIKey is FIIGQIYHQGSLNX-NCRNUEESSA-N. The full InChI is InChI=1S/C44H25F8N2OP/c45-29-12-27(13-30(46)16-29)41-42(28-14-31(47)17-32(48)15-28)54(44(55)26-10-9-24-5-1-2-6-25(24)11-26)43(53-41)39-7-3-4-8-40(39)56(37-20-33(49)18-34(50)21-37)38-22-35(51)19-36(52)23-38/h1-23,41-42H/t41-,42-/m1/s1.

What are the key properties of [(4R,5R)-2-[2-bis(3,5-difluorophenyl)phosphanylphenyl]-4,5-bis(3,5-difluorophenyl)-4,5-dihydroimidazol-1-yl]-naphthalen-2-ylmethanone?

[(4R,5R)-2-[2-bis(3,5-difluorophenyl)phosphanylphenyl]-4,5-bis(3,5-difluorophenyl)-4,5-dihydroimidazol-1-yl]-naphthalen-2-ylmethanone has a molecular weight of 780.66 g/mol, XLogP of 10.10, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [(4R,5R)-2-[2-bis(3,5-difluorophenyl)phosphanylphenyl]-4,5-bis(3,5-difluorophenyl)-4,5-dihydroimidazol-1-yl]-naphthalen-2-ylmethanone is sourced from PubChem (CID 11422884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).