[2,6-dichloro-4-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane

C32H26Cl2P2 — CID 139626936

IUPAC[2,6-dichloro-4-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane
SMILESClc1cc(CP(c2ccccc2)c2ccccc2)cc(Cl)c1CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H26Cl2P2/c33-31-21-25(23-35(26-13-5-1-6-14-26)27-15-7-2-8-16-27)22-32(34)30(31)24-36(28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-22H,23-24H2
InChIKeyFUHZCBMKVPDWAR-UHFFFAOYSA-N
MW543.41 g/mol
LogP8.26
Rot. Bonds8

About [2,6-dichloro-4-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane

[2,6-dichloro-4-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane (PubChem CID 139626936) has the molecular formula C32H26Cl2P2 and a molecular weight of 543.41 g/mol. Its IUPAC name is [2,6-dichloro-4-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane.

Molecular Properties

Compound Name[2,6-dichloro-4-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane
PubChem CID139626936
Molecular FormulaC32H26Cl2P2
Molecular Weight543.41 g/mol
Exact Mass542.09
IUPAC Name[2,6-dichloro-4-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane
SMILESClc1cc(CP(c2ccccc2)c2ccccc2)cc(Cl)c1CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H26Cl2P2/c33-31-21-25(23-35(26-13-5-1-6-14-26)27-15-7-2-8-16-27)22-32(34)30(31)24-36(28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-22H,23-24H2
InChIKeyFUHZCBMKVPDWAR-UHFFFAOYSA-N
XLogP8.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.41
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis(benzyl(diphenyl)phosphane);dichloropalladium
CID 134992154
[5-(diphenylphosphanylmethyl)-3-pyridinyl]methyl-diphenylphosphane
CID 15763240
chlororuthenium;[3-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane;triphenylphosphane
CID 11480006
5,11,17,23-tetrakis(diphenylphosphanylmethyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol
CID 101359024
benzene;[4-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane;bis(gold(1+))
CID 135082503
[3,5-bis(phenylmethoxy)phenyl]methyl-diphenylphosphane
CID 11982331
diphenyl-[(2-pyridin-2-yl-4-pyridinyl)methyl]phosphane
CID 90058250
diphenyl-[[3-(phenylsulfanylmethyl)phenyl]methyl]phosphane
CID 24894846
ditert-butyl-[[2-(diphenylphosphanylmethyl)phenyl]methyl]phosphane
CID 87241692
chloronickel;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 12000429
(2,2-dichloro-3-diphenylphosphanylpropyl)-diphenylphosphane;nickel(2+)
CID 131716311
(2,2-dichloro-3-diphenylphosphanylpropyl)-diphenylphosphane;palladium
CID 175711479

Frequently Asked Questions

What is the IUPAC name of [2,6-dichloro-4-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane?
The IUPAC name of [2,6-dichloro-4-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane (CID 139626936) is [2,6-dichloro-4-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane.
What is the SMILES notation for [2,6-dichloro-4-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane?
The canonical SMILES for [2,6-dichloro-4-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane is Clc1cc(CP(c2ccccc2)c2ccccc2)cc(Cl)c1CP(c1ccccc1)c1ccccc1.
What is the InChIKey of [2,6-dichloro-4-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane?
The InChIKey is FUHZCBMKVPDWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26Cl2P2/c33-31-21-25(23-35(26-13-5-1-6-14-26)27-15-7-2-8-16-27)22-32(34)30(31)24-36(28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-22H,23-24H2.
What are the key properties of [2,6-dichloro-4-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane?
[2,6-dichloro-4-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane has a molecular weight of 543.41 g/mol, XLogP of 8.26, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-dichloro-4-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane is sourced from PubChem (CID 139626936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).