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

C44H27Cl2F4N2OP — CID 135085144

IUPAC[(4R,5R)-2-[2-bis(4-chlorophenyl)phosphanylphenyl]-4,5-bis(3,5-difluorophenyl)-4,5-dihydroimidazol-1-yl]-naphthalen-2-ylmethanone
SMILESO=C(c1ccc2ccccc2c1)N1C(c2ccccc2P(c2ccc(Cl)cc2)c2ccc(Cl)cc2)=N[C@H](c2cc(F)cc(F)c2)[C@H]1c1cc(F)cc(F)c1
InChIInChI=1S/C44H27Cl2F4N2OP/c45-31-11-15-37(16-12-31)54(38-17-13-32(46)14-18-38)40-8-4-3-7-39(40)43-51-41(29-20-33(47)24-34(48)21-29)42(30-22-35(49)25-36(50)23-30)52(43)44(53)28-10-9-26-5-1-2-6-27(26)19-28/h1-25,41-42H/t41-,42-/m1/s1
InChIKeyJATXPJUULFVDTM-NCRNUEESSA-N
MW777.59 g/mol
LogP10.85
Rot. Bonds7

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

[(4R,5R)-2-[2-bis(4-chlorophenyl)phosphanylphenyl]-4,5-bis(3,5-difluorophenyl)-4,5-dihydroimidazol-1-yl]-naphthalen-2-ylmethanone (PubChem CID 135085144) has the molecular formula C44H27Cl2F4N2OP and a molecular weight of 777.59 g/mol. Its IUPAC name is [(4R,5R)-2-[2-bis(4-chlorophenyl)phosphanylphenyl]-4,5-bis(3,5-difluorophenyl)-4,5-dihydroimidazol-1-yl]-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name[(4R,5R)-2-[2-bis(4-chlorophenyl)phosphanylphenyl]-4,5-bis(3,5-difluorophenyl)-4,5-dihydroimidazol-1-yl]-naphthalen-2-ylmethanone
PubChem CID135085144
Molecular FormulaC44H27Cl2F4N2OP
Molecular Weight777.59 g/mol
Exact Mass776.12
IUPAC Name[(4R,5R)-2-[2-bis(4-chlorophenyl)phosphanylphenyl]-4,5-bis(3,5-difluorophenyl)-4,5-dihydroimidazol-1-yl]-naphthalen-2-ylmethanone
SMILESO=C(c1ccc2ccccc2c1)N1C(c2ccccc2P(c2ccc(Cl)cc2)c2ccc(Cl)cc2)=N[C@H](c2cc(F)cc(F)c2)[C@H]1c1cc(F)cc(F)c1
InChIInChI=1S/C44H27Cl2F4N2OP/c45-31-11-15-37(16-12-31)54(38-17-13-32(46)14-18-38)40-8-4-3-7-39(40)43-51-41(29-20-33(47)24-34(48)21-29)42(30-22-35(49)25-36(50)23-30)52(43)44(53)28-10-9-26-5-1-2-6-27(26)19-28/h1-25,41-42H/t41-,42-/m1/s1
InChIKeyJATXPJUULFVDTM-NCRNUEESSA-N
XLogP10.85
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.59
LogP ≤ 510.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(4R,5R)-2-[2-bis(4-chlorophenyl)phosphanylphenyl]-4,5-bis(3,5-difluorophenyl)-4,5-dihydroimidazol-1-yl]-naphthalen-2-ylmethanone?
The IUPAC name of [(4R,5R)-2-[2-bis(4-chlorophenyl)phosphanylphenyl]-4,5-bis(3,5-difluorophenyl)-4,5-dihydroimidazol-1-yl]-naphthalen-2-ylmethanone (CID 135085144) is [(4R,5R)-2-[2-bis(4-chlorophenyl)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(4-chlorophenyl)phosphanylphenyl]-4,5-bis(3,5-difluorophenyl)-4,5-dihydroimidazol-1-yl]-naphthalen-2-ylmethanone?
The canonical SMILES for [(4R,5R)-2-[2-bis(4-chlorophenyl)phosphanylphenyl]-4,5-bis(3,5-difluorophenyl)-4,5-dihydroimidazol-1-yl]-naphthalen-2-ylmethanone is O=C(c1ccc2ccccc2c1)N1C(c2ccccc2P(c2ccc(Cl)cc2)c2ccc(Cl)cc2)=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(4-chlorophenyl)phosphanylphenyl]-4,5-bis(3,5-difluorophenyl)-4,5-dihydroimidazol-1-yl]-naphthalen-2-ylmethanone?
The InChIKey is JATXPJUULFVDTM-NCRNUEESSA-N. The full InChI is InChI=1S/C44H27Cl2F4N2OP/c45-31-11-15-37(16-12-31)54(38-17-13-32(46)14-18-38)40-8-4-3-7-39(40)43-51-41(29-20-33(47)24-34(48)21-29)42(30-22-35(49)25-36(50)23-30)52(43)44(53)28-10-9-26-5-1-2-6-27(26)19-28/h1-25,41-42H/t41-,42-/m1/s1.
What are the key properties of [(4R,5R)-2-[2-bis(4-chlorophenyl)phosphanylphenyl]-4,5-bis(3,5-difluorophenyl)-4,5-dihydroimidazol-1-yl]-naphthalen-2-ylmethanone?
[(4R,5R)-2-[2-bis(4-chlorophenyl)phosphanylphenyl]-4,5-bis(3,5-difluorophenyl)-4,5-dihydroimidazol-1-yl]-naphthalen-2-ylmethanone has a molecular weight of 777.59 g/mol, XLogP of 10.85, 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(4-chlorophenyl)phosphanylphenyl]-4,5-bis(3,5-difluorophenyl)-4,5-dihydroimidazol-1-yl]-naphthalen-2-ylmethanone is sourced from PubChem (CID 135085144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).