bis(diphenylphosphoryl)methylidene-triphenyl-λ5-phosphane

C43H35O2P3 — CID 4028958

IUPACbis(diphenylphosphoryl)methylidene-triphenyl-λ5-phosphane
SMILESO=P(C(P(=O)(c1ccccc1)c1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C43H35O2P3/c44-47(39-28-14-4-15-29-39,40-30-16-5-17-31-40)43(48(45,41-32-18-6-19-33-41)42-34-20-7-21-35-42)46(36-22-8-1-9-23-36,37-24-10-2-11-25-37)38-26-12-3-13-27-38/h1-35H
InChIKeyHOJGVIKDMMYICZ-UHFFFAOYSA-N
MW676.67 g/mol
LogP8.10
Rot. Bonds9

About bis(diphenylphosphoryl)methylidene-triphenyl-λ5-phosphane

bis(diphenylphosphoryl)methylidene-triphenyl-λ5-phosphane (PubChem CID 4028958) has the molecular formula C43H35O2P3 and a molecular weight of 676.67 g/mol. Its IUPAC name is bis(diphenylphosphoryl)methylidene-triphenyl-λ5-phosphane.

Molecular Properties

Compound Namebis(diphenylphosphoryl)methylidene-triphenyl-λ5-phosphane
PubChem CID4028958
Molecular FormulaC43H35O2P3
Molecular Weight676.67 g/mol
Exact Mass676.18
IUPAC Namebis(diphenylphosphoryl)methylidene-triphenyl-λ5-phosphane
SMILESO=P(C(P(=O)(c1ccccc1)c1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C43H35O2P3/c44-47(39-28-14-4-15-29-39,40-30-16-5-17-31-40)43(48(45,41-32-18-6-19-33-41)42-34-20-7-21-35-42)46(36-22-8-1-9-23-36,37-24-10-2-11-25-37)38-26-12-3-13-27-38/h1-35H
InChIKeyHOJGVIKDMMYICZ-UHFFFAOYSA-N
XLogP8.10
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.67
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-diphenylphosphoryl-N,N-diethyl-2-(triphenyl-lambda5-phosphanylidene)acetamide
CID 14169460
1,6-bis(diphenylphosphoryl)hexane-1,6-dione
CID 58792595
CID 66766975
CID 66766975
dibromomethylidene(triphenyl)-λ5-phosphane
CID 11122938
phenylphosphonic acid;terbium
CID 175289814
diphenylphosphinic acid chloride
CID 53401992
phenylphosphonic acid;phosphane
CID 157219344
1-diphenoxyphosphorylethylidene(triphenyl)-lambda5-phosphane
CID 621814
1-diphenylphosphoryl-2,2,2-triphenylethanone
CID 141056133
diphenylphosphorylmethanimidamide
CID 118169185
diphenylphosphorylbenzene;terbium
CID 86595283
2-(triphenyl-λ5-phosphanylidene)propanoic acid
CID 13030225

Frequently Asked Questions

What is the IUPAC name of bis(diphenylphosphoryl)methylidene-triphenyl-λ5-phosphane?
The IUPAC name of bis(diphenylphosphoryl)methylidene-triphenyl-λ5-phosphane (CID 4028958) is bis(diphenylphosphoryl)methylidene-triphenyl-λ5-phosphane.
What is the SMILES notation for bis(diphenylphosphoryl)methylidene-triphenyl-λ5-phosphane?
The canonical SMILES for bis(diphenylphosphoryl)methylidene-triphenyl-λ5-phosphane is O=P(C(P(=O)(c1ccccc1)c1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of bis(diphenylphosphoryl)methylidene-triphenyl-λ5-phosphane?
The InChIKey is HOJGVIKDMMYICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H35O2P3/c44-47(39-28-14-4-15-29-39,40-30-16-5-17-31-40)43(48(45,41-32-18-6-19-33-41)42-34-20-7-21-35-42)46(36-22-8-1-9-23-36,37-24-10-2-11-25-37)38-26-12-3-13-27-38/h1-35H.
What are the key properties of bis(diphenylphosphoryl)methylidene-triphenyl-λ5-phosphane?
bis(diphenylphosphoryl)methylidene-triphenyl-λ5-phosphane has a molecular weight of 676.67 g/mol, XLogP of 8.10, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(diphenylphosphoryl)methylidene-triphenyl-λ5-phosphane is sourced from PubChem (CID 4028958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).