2-bis[2-(trichloromethyl)phenyl]phosphanylethyl-bis[2-(trichloromethyl)phenyl]phosphane

C30H20Cl12P2 — CID 168859958

IUPAC2-bis[2-(trichloromethyl)phenyl]phosphanylethyl-bis[2-(trichloromethyl)phenyl]phosphane
SMILESClC(Cl)(Cl)c1ccccc1P(CCP(c1ccccc1C(Cl)(Cl)Cl)c1ccccc1C(Cl)(Cl)Cl)c1ccccc1C(Cl)(Cl)Cl
InChIInChI=1S/C30H20Cl12P2/c31-27(32,33)19-9-1-5-13-23(19)43(24-14-6-2-10-20(24)28(34,35)36)17-18-44(25-15-7-3-11-21(25)29(37,38)39)26-16-8-4-12-22(26)30(40,41)42/h1-16H,17-18H2
InChIKeyDTGVKJIVZKNNOW-UHFFFAOYSA-N
MW867.87 g/mol
LogP12.56
Rot. Bonds7

About 2-bis[2-(trichloromethyl)phenyl]phosphanylethyl-bis[2-(trichloromethyl)phenyl]phosphane

2-bis[2-(trichloromethyl)phenyl]phosphanylethyl-bis[2-(trichloromethyl)phenyl]phosphane (PubChem CID 168859958) has the molecular formula C30H20Cl12P2 and a molecular weight of 867.87 g/mol. Its IUPAC name is 2-bis[2-(trichloromethyl)phenyl]phosphanylethyl-bis[2-(trichloromethyl)phenyl]phosphane.

Molecular Properties

Compound Name2-bis[2-(trichloromethyl)phenyl]phosphanylethyl-bis[2-(trichloromethyl)phenyl]phosphane
PubChem CID168859958
Molecular FormulaC30H20Cl12P2
Molecular Weight867.87 g/mol
Exact Mass861.73
IUPAC Name2-bis[2-(trichloromethyl)phenyl]phosphanylethyl-bis[2-(trichloromethyl)phenyl]phosphane
SMILESClC(Cl)(Cl)c1ccccc1P(CCP(c1ccccc1C(Cl)(Cl)Cl)c1ccccc1C(Cl)(Cl)Cl)c1ccccc1C(Cl)(Cl)Cl
InChIInChI=1S/C30H20Cl12P2/c31-27(32,33)19-9-1-5-13-23(19)43(24-14-6-2-10-20(24)28(34,35)36)17-18-44(25-15-7-3-11-21(25)29(37,38)39)26-16-8-4-12-22(26)30(40,41)42/h1-16H,17-18H2
InChIKeyDTGVKJIVZKNNOW-UHFFFAOYSA-N
XLogP12.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.87
LogP ≤ 512.56
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-[2-(trichloromethyl)phenyl]phosphane
CID 54542486
1-(trichloromethyl)naphthalene
CID 12791328
[2-(trichloromethyl)phenyl]methanol
CID 20975681
1-chloro-2-(trichloromethyl)benzene
CID 16494
1-chloro-2-(trichloromethyl)benzene;hydrofluoride
CID 21414937
1-[dichloro-[dichloro(naphthalen-1-yl)methyl]sulfanylmethyl]naphthalene
CID 140973292
chloronickel;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 12000429
1-(trichloromethyl)-2-(1,1,2-trifluoroethoxy)benzene
CID 88529010
tris(2-tert-butylphenyl)phosphane
CID 11475937
2-(trichloromethyl)benzenecarbothioic S-acid
CID 141313140
2-[2-bis(2-methoxyphenyl)phosphanylethyl-(2-methoxyphenyl)phosphanyl]phenol
CID 12057041
[2-[dichloro(phenyl)methyl]phenyl]-diphenylphosphane;palladium(2+)
CID 175798666

Frequently Asked Questions

What is the IUPAC name of 2-bis[2-(trichloromethyl)phenyl]phosphanylethyl-bis[2-(trichloromethyl)phenyl]phosphane?
The IUPAC name of 2-bis[2-(trichloromethyl)phenyl]phosphanylethyl-bis[2-(trichloromethyl)phenyl]phosphane (CID 168859958) is 2-bis[2-(trichloromethyl)phenyl]phosphanylethyl-bis[2-(trichloromethyl)phenyl]phosphane.
What is the SMILES notation for 2-bis[2-(trichloromethyl)phenyl]phosphanylethyl-bis[2-(trichloromethyl)phenyl]phosphane?
The canonical SMILES for 2-bis[2-(trichloromethyl)phenyl]phosphanylethyl-bis[2-(trichloromethyl)phenyl]phosphane is ClC(Cl)(Cl)c1ccccc1P(CCP(c1ccccc1C(Cl)(Cl)Cl)c1ccccc1C(Cl)(Cl)Cl)c1ccccc1C(Cl)(Cl)Cl.
What is the InChIKey of 2-bis[2-(trichloromethyl)phenyl]phosphanylethyl-bis[2-(trichloromethyl)phenyl]phosphane?
The InChIKey is DTGVKJIVZKNNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20Cl12P2/c31-27(32,33)19-9-1-5-13-23(19)43(24-14-6-2-10-20(24)28(34,35)36)17-18-44(25-15-7-3-11-21(25)29(37,38)39)26-16-8-4-12-22(26)30(40,41)42/h1-16H,17-18H2.
What are the key properties of 2-bis[2-(trichloromethyl)phenyl]phosphanylethyl-bis[2-(trichloromethyl)phenyl]phosphane?
2-bis[2-(trichloromethyl)phenyl]phosphanylethyl-bis[2-(trichloromethyl)phenyl]phosphane has a molecular weight of 867.87 g/mol, XLogP of 12.56, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bis[2-(trichloromethyl)phenyl]phosphanylethyl-bis[2-(trichloromethyl)phenyl]phosphane is sourced from PubChem (CID 168859958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).