[5-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]-4,5-diphenylimidazol-2-yl]quinolin-6-yl]-diphenylphosphane

C43H27F5N3P — CID 123686310

IUPAC[5-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]-4,5-diphenylimidazol-2-yl]quinolin-6-yl]-diphenylphosphane
SMILESFc1c(F)c(F)c(Cn2c(-c3c(P(c4ccccc4)c4ccccc4)ccc4ncccc34)nc(-c3ccccc3)c2-c2ccccc2)c(F)c1F
InChIInChI=1S/C43H27F5N3P/c44-36-32(37(45)39(47)40(48)38(36)46)26-51-42(28-16-7-2-8-17-28)41(27-14-5-1-6-15-27)50-43(51)35-31-22-13-25-49-33(31)23-24-34(35)52(29-18-9-3-10-19-29)30-20-11-4-12-21-30/h1-25H,26H2
InChIKeyFHYXDOPENIVHFI-UHFFFAOYSA-N
MW711.67 g/mol
LogP9.93
Rot. Bonds8

About [5-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]-4,5-diphenylimidazol-2-yl]quinolin-6-yl]-diphenylphosphane

[5-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]-4,5-diphenylimidazol-2-yl]quinolin-6-yl]-diphenylphosphane (PubChem CID 123686310) has the molecular formula C43H27F5N3P and a molecular weight of 711.67 g/mol. Its IUPAC name is [5-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]-4,5-diphenylimidazol-2-yl]quinolin-6-yl]-diphenylphosphane.

Molecular Properties

Compound Name[5-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]-4,5-diphenylimidazol-2-yl]quinolin-6-yl]-diphenylphosphane
PubChem CID123686310
Molecular FormulaC43H27F5N3P
Molecular Weight711.67 g/mol
Exact Mass711.19
IUPAC Name[5-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]-4,5-diphenylimidazol-2-yl]quinolin-6-yl]-diphenylphosphane
SMILESFc1c(F)c(F)c(Cn2c(-c3c(P(c4ccccc4)c4ccccc4)ccc4ncccc34)nc(-c3ccccc3)c2-c2ccccc2)c(F)c1F
InChIInChI=1S/C43H27F5N3P/c44-36-32(37(45)39(47)40(48)38(36)46)26-51-42(28-16-7-2-8-17-28)41(27-14-5-1-6-15-27)50-43(51)35-31-22-13-25-49-33(31)23-24-34(35)52(29-18-9-3-10-19-29)30-20-11-4-12-21-30/h1-25H,26H2
InChIKeyFHYXDOPENIVHFI-UHFFFAOYSA-N
XLogP9.93
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.67
LogP ≤ 59.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [5-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]-4,5-diphenylimidazol-2-yl]quinolin-6-yl]-diphenylphosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]-4,5-diphenylimidazol-2-yl]quinolin-6-yl]-diphenylphosphane?
The IUPAC name of [5-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]-4,5-diphenylimidazol-2-yl]quinolin-6-yl]-diphenylphosphane (CID 123686310) is [5-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]-4,5-diphenylimidazol-2-yl]quinolin-6-yl]-diphenylphosphane.
What is the SMILES notation for [5-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]-4,5-diphenylimidazol-2-yl]quinolin-6-yl]-diphenylphosphane?
The canonical SMILES for [5-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]-4,5-diphenylimidazol-2-yl]quinolin-6-yl]-diphenylphosphane is Fc1c(F)c(F)c(Cn2c(-c3c(P(c4ccccc4)c4ccccc4)ccc4ncccc34)nc(-c3ccccc3)c2-c2ccccc2)c(F)c1F.
What is the InChIKey of [5-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]-4,5-diphenylimidazol-2-yl]quinolin-6-yl]-diphenylphosphane?
The InChIKey is FHYXDOPENIVHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27F5N3P/c44-36-32(37(45)39(47)40(48)38(36)46)26-51-42(28-16-7-2-8-17-28)41(27-14-5-1-6-15-27)50-43(51)35-31-22-13-25-49-33(31)23-24-34(35)52(29-18-9-3-10-19-29)30-20-11-4-12-21-30/h1-25H,26H2.
What are the key properties of [5-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]-4,5-diphenylimidazol-2-yl]quinolin-6-yl]-diphenylphosphane?
[5-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]-4,5-diphenylimidazol-2-yl]quinolin-6-yl]-diphenylphosphane has a molecular weight of 711.67 g/mol, XLogP of 9.93, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]-4,5-diphenylimidazol-2-yl]quinolin-6-yl]-diphenylphosphane is sourced from PubChem (CID 123686310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).