diphenylphosphanyl-(2,3,4,5,6-pentafluorophenyl)imino-diphenyl-λ5-phosphane

C30H20F5NP2 — CID 12061648

IUPACdiphenylphosphanyl-(2,3,4,5,6-pentafluorophenyl)imino-diphenyl-λ5-phosphane
SMILESFc1c(F)c(F)c(N=P(c2ccccc2)(c2ccccc2)P(c2ccccc2)c2ccccc2)c(F)c1F
InChIInChI=1S/C30H20F5NP2/c31-25-26(32)28(34)30(29(35)27(25)33)36-38(23-17-9-3-10-18-23,24-19-11-4-12-20-24)37(21-13-5-1-6-14-21)22-15-7-2-8-16-22/h1-20H
InChIKeyHQJRGUPWABADPP-UHFFFAOYSA-N
MW551.44 g/mol
LogP7.91
Rot. Bonds6

About diphenylphosphanyl-(2,3,4,5,6-pentafluorophenyl)imino-diphenyl-λ5-phosphane

diphenylphosphanyl-(2,3,4,5,6-pentafluorophenyl)imino-diphenyl-λ5-phosphane (PubChem CID 12061648) has the molecular formula C30H20F5NP2 and a molecular weight of 551.44 g/mol. Its IUPAC name is diphenylphosphanyl-(2,3,4,5,6-pentafluorophenyl)imino-diphenyl-λ5-phosphane.

Molecular Properties

Compound Namediphenylphosphanyl-(2,3,4,5,6-pentafluorophenyl)imino-diphenyl-λ5-phosphane
PubChem CID12061648
Molecular FormulaC30H20F5NP2
Molecular Weight551.44 g/mol
Exact Mass551.10
IUPAC Namediphenylphosphanyl-(2,3,4,5,6-pentafluorophenyl)imino-diphenyl-λ5-phosphane
SMILESFc1c(F)c(F)c(N=P(c2ccccc2)(c2ccccc2)P(c2ccccc2)c2ccccc2)c(F)c1F
InChIInChI=1S/C30H20F5NP2/c31-25-26(32)28(34)30(29(35)27(25)33)36-38(23-17-9-3-10-18-23,24-19-11-4-12-20-24)37(21-13-5-1-6-14-21)22-15-7-2-8-16-22/h1-20H
InChIKeyHQJRGUPWABADPP-UHFFFAOYSA-N
XLogP7.91
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.44
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 diphenylphosphanyl-(2,3,4,5,6-pentafluorophenyl)imino-diphenyl-λ5-phosphane?
The IUPAC name of diphenylphosphanyl-(2,3,4,5,6-pentafluorophenyl)imino-diphenyl-λ5-phosphane (CID 12061648) is diphenylphosphanyl-(2,3,4,5,6-pentafluorophenyl)imino-diphenyl-λ5-phosphane.
What is the SMILES notation for diphenylphosphanyl-(2,3,4,5,6-pentafluorophenyl)imino-diphenyl-λ5-phosphane?
The canonical SMILES for diphenylphosphanyl-(2,3,4,5,6-pentafluorophenyl)imino-diphenyl-λ5-phosphane is Fc1c(F)c(F)c(N=P(c2ccccc2)(c2ccccc2)P(c2ccccc2)c2ccccc2)c(F)c1F.
What is the InChIKey of diphenylphosphanyl-(2,3,4,5,6-pentafluorophenyl)imino-diphenyl-λ5-phosphane?
The InChIKey is HQJRGUPWABADPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20F5NP2/c31-25-26(32)28(34)30(29(35)27(25)33)36-38(23-17-9-3-10-18-23,24-19-11-4-12-20-24)37(21-13-5-1-6-14-21)22-15-7-2-8-16-22/h1-20H.
What are the key properties of diphenylphosphanyl-(2,3,4,5,6-pentafluorophenyl)imino-diphenyl-λ5-phosphane?
diphenylphosphanyl-(2,3,4,5,6-pentafluorophenyl)imino-diphenyl-λ5-phosphane has a molecular weight of 551.44 g/mol, XLogP of 7.91, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphanyl-(2,3,4,5,6-pentafluorophenyl)imino-diphenyl-λ5-phosphane is sourced from PubChem (CID 12061648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).