chloro-[dichloro-[chloro(triphenyl)-λ5-phosphanyl]methyl]-triphenyl-λ5-phosphane

C37H30Cl4P2 — CID 174048595

IUPACchloro-[dichloro-[chloro(triphenyl)-λ5-phosphanyl]methyl]-triphenyl-λ5-phosphane
SMILESClC(Cl)(P(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1)P(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H30Cl4P2/c38-37(39,42(40,31-19-7-1-8-20-31,32-21-9-2-10-22-32)33-23-11-3-12-24-33)43(41,34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30H
InChIKeyZEHGYMUXXUAKBE-UHFFFAOYSA-N
MW678.41 g/mol
LogP9.44
Rot. Bonds8

About chloro-[dichloro-[chloro(triphenyl)-λ5-phosphanyl]methyl]-triphenyl-λ5-phosphane

chloro-[dichloro-[chloro(triphenyl)-λ5-phosphanyl]methyl]-triphenyl-λ5-phosphane (PubChem CID 174048595) has the molecular formula C37H30Cl4P2 and a molecular weight of 678.41 g/mol. Its IUPAC name is chloro-[dichloro-[chloro(triphenyl)-λ5-phosphanyl]methyl]-triphenyl-λ5-phosphane.

Molecular Properties

Compound Namechloro-[dichloro-[chloro(triphenyl)-λ5-phosphanyl]methyl]-triphenyl-λ5-phosphane
PubChem CID174048595
Molecular FormulaC37H30Cl4P2
Molecular Weight678.41 g/mol
Exact Mass676.06
IUPAC Namechloro-[dichloro-[chloro(triphenyl)-λ5-phosphanyl]methyl]-triphenyl-λ5-phosphane
SMILESClC(Cl)(P(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1)P(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H30Cl4P2/c38-37(39,42(40,31-19-7-1-8-20-31,32-21-9-2-10-22-32)33-23-11-3-12-24-33)43(41,34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30H
InChIKeyZEHGYMUXXUAKBE-UHFFFAOYSA-N
XLogP9.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.41
LogP ≤ 59.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dichloro-phenyl-bis(trifluoromethyl)-λ5-phosphane
CID 90421883
chloro-triphenyl-[(E)-prop-1-enyl]-λ5-phosphane
CID 5377615
chloro-(fluoromethyl)-dimethyl-phenyl-λ5-phosphane
CID 140607648
tris(antimony(3+));tris(trioxido(diphenyl)-λ5-phosphane)
CID 158103427
chloro-ethyl-triphenyl-λ5-phosphane
CID 12903040
benzyl-chloro-triphenyl-lambda5-phosphane
CID 631738
tetraphenyl(thiophosphoroso)-λ5-phosphane
CID 140587011
bromo-methyl-triphenyl-λ5-phosphane;hydrobromide
CID 173269490
bis(bromo-dimethanidyl-diphenyl-λ5-phosphane);bromogold
CID 134901694
benzene;tetrachloromethane;toluene
CID 172748154
tetraphenyl-[2-(tetraphenyl-λ5-phosphanyl)ethyl]-λ5-phosphane
CID 175110521
CID 71339905
CID 71339905

Frequently Asked Questions

What is the IUPAC name of chloro-[dichloro-[chloro(triphenyl)-λ5-phosphanyl]methyl]-triphenyl-λ5-phosphane?
The IUPAC name of chloro-[dichloro-[chloro(triphenyl)-λ5-phosphanyl]methyl]-triphenyl-λ5-phosphane (CID 174048595) is chloro-[dichloro-[chloro(triphenyl)-λ5-phosphanyl]methyl]-triphenyl-λ5-phosphane.
What is the SMILES notation for chloro-[dichloro-[chloro(triphenyl)-λ5-phosphanyl]methyl]-triphenyl-λ5-phosphane?
The canonical SMILES for chloro-[dichloro-[chloro(triphenyl)-λ5-phosphanyl]methyl]-triphenyl-λ5-phosphane is ClC(Cl)(P(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1)P(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of chloro-[dichloro-[chloro(triphenyl)-λ5-phosphanyl]methyl]-triphenyl-λ5-phosphane?
The InChIKey is ZEHGYMUXXUAKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H30Cl4P2/c38-37(39,42(40,31-19-7-1-8-20-31,32-21-9-2-10-22-32)33-23-11-3-12-24-33)43(41,34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30H.
What are the key properties of chloro-[dichloro-[chloro(triphenyl)-λ5-phosphanyl]methyl]-triphenyl-λ5-phosphane?
chloro-[dichloro-[chloro(triphenyl)-λ5-phosphanyl]methyl]-triphenyl-λ5-phosphane has a molecular weight of 678.41 g/mol, XLogP of 9.44, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[dichloro-[chloro(triphenyl)-λ5-phosphanyl]methyl]-triphenyl-λ5-phosphane is sourced from PubChem (CID 174048595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).