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

C44H28F5N2P — CID 72707685

IUPAC[1-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]-4,5-diphenylimidazol-2-yl]naphthalen-2-yl]-diphenylphosphane
SMILESFc1c(F)c(F)c(Cn2c(-c3c(P(c4ccccc4)c4ccccc4)ccc4ccccc34)nc(-c3ccccc3)c2-c2ccccc2)c(F)c1F
InChIInChI=1S/C44H28F5N2P/c45-37-34(38(46)40(48)41(49)39(37)47)27-51-43(30-18-7-2-8-19-30)42(29-16-5-1-6-17-29)50-44(51)36-33-24-14-13-15-28(33)25-26-35(36)52(31-20-9-3-10-21-31)32-22-11-4-12-23-32/h1-26H,27H2
InChIKeyQFGAWCQIZYUPDE-UHFFFAOYSA-N
MW710.69 g/mol
LogP10.54
Rot. Bonds8

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

[1-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]-4,5-diphenylimidazol-2-yl]naphthalen-2-yl]-diphenylphosphane (PubChem CID 72707685) has the molecular formula C44H28F5N2P and a molecular weight of 710.69 g/mol. Its IUPAC name is [1-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]-4,5-diphenylimidazol-2-yl]naphthalen-2-yl]-diphenylphosphane.

Molecular Properties

Compound Name[1-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]-4,5-diphenylimidazol-2-yl]naphthalen-2-yl]-diphenylphosphane
PubChem CID72707685
Molecular FormulaC44H28F5N2P
Molecular Weight710.69 g/mol
Exact Mass710.19
IUPAC Name[1-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]-4,5-diphenylimidazol-2-yl]naphthalen-2-yl]-diphenylphosphane
SMILESFc1c(F)c(F)c(Cn2c(-c3c(P(c4ccccc4)c4ccccc4)ccc4ccccc34)nc(-c3ccccc3)c2-c2ccccc2)c(F)c1F
InChIInChI=1S/C44H28F5N2P/c45-37-34(38(46)40(48)41(49)39(37)47)27-51-43(30-18-7-2-8-19-30)42(29-16-5-1-6-17-29)50-44(51)36-33-24-14-13-15-28(33)25-26-35(36)52(31-20-9-3-10-21-31)32-22-11-4-12-23-32/h1-26H,27H2
InChIKeyQFGAWCQIZYUPDE-UHFFFAOYSA-N
XLogP10.54
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.69
LogP ≤ 510.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

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Frequently Asked Questions

What is the IUPAC name of [1-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]-4,5-diphenylimidazol-2-yl]naphthalen-2-yl]-diphenylphosphane?
The IUPAC name of [1-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]-4,5-diphenylimidazol-2-yl]naphthalen-2-yl]-diphenylphosphane (CID 72707685) is [1-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]-4,5-diphenylimidazol-2-yl]naphthalen-2-yl]-diphenylphosphane.
What is the SMILES notation for [1-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]-4,5-diphenylimidazol-2-yl]naphthalen-2-yl]-diphenylphosphane?
The canonical SMILES for [1-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]-4,5-diphenylimidazol-2-yl]naphthalen-2-yl]-diphenylphosphane is Fc1c(F)c(F)c(Cn2c(-c3c(P(c4ccccc4)c4ccccc4)ccc4ccccc34)nc(-c3ccccc3)c2-c2ccccc2)c(F)c1F.
What is the InChIKey of [1-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]-4,5-diphenylimidazol-2-yl]naphthalen-2-yl]-diphenylphosphane?
The InChIKey is QFGAWCQIZYUPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28F5N2P/c45-37-34(38(46)40(48)41(49)39(37)47)27-51-43(30-18-7-2-8-19-30)42(29-16-5-1-6-17-29)50-44(51)36-33-24-14-13-15-28(33)25-26-35(36)52(31-20-9-3-10-21-31)32-22-11-4-12-23-32/h1-26H,27H2.
What are the key properties of [1-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]-4,5-diphenylimidazol-2-yl]naphthalen-2-yl]-diphenylphosphane?
[1-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]-4,5-diphenylimidazol-2-yl]naphthalen-2-yl]-diphenylphosphane has a molecular weight of 710.69 g/mol, XLogP of 10.54, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]-4,5-diphenylimidazol-2-yl]naphthalen-2-yl]-diphenylphosphane is sourced from PubChem (CID 72707685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).