[3-chloro-2-(2-chloro-6-diphenylphosphanylphenyl)phenyl]-diphenylphosphane

C36H26Cl2P2 — CID 22415599

IUPAC[3-chloro-2-(2-chloro-6-diphenylphosphanylphenyl)phenyl]-diphenylphosphane
SMILESClc1cccc(P(c2ccccc2)c2ccccc2)c1-c1c(Cl)cccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H26Cl2P2/c37-31-23-13-25-33(39(27-15-5-1-6-16-27)28-17-7-2-8-18-28)35(31)36-32(38)24-14-26-34(36)40(29-19-9-3-10-20-29)30-21-11-4-12-22-30/h1-26H
InChIKeyJOZSJFZATPHDRW-UHFFFAOYSA-N
MW591.46 g/mol
LogP8.18
Rot. Bonds7

About [3-chloro-2-(2-chloro-6-diphenylphosphanylphenyl)phenyl]-diphenylphosphane

[3-chloro-2-(2-chloro-6-diphenylphosphanylphenyl)phenyl]-diphenylphosphane (PubChem CID 22415599) has the molecular formula C36H26Cl2P2 and a molecular weight of 591.46 g/mol. Its IUPAC name is [3-chloro-2-(2-chloro-6-diphenylphosphanylphenyl)phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[3-chloro-2-(2-chloro-6-diphenylphosphanylphenyl)phenyl]-diphenylphosphane
PubChem CID22415599
Molecular FormulaC36H26Cl2P2
Molecular Weight591.46 g/mol
Exact Mass590.09
IUPAC Name[3-chloro-2-(2-chloro-6-diphenylphosphanylphenyl)phenyl]-diphenylphosphane
SMILESClc1cccc(P(c2ccccc2)c2ccccc2)c1-c1c(Cl)cccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H26Cl2P2/c37-31-23-13-25-33(39(27-15-5-1-6-16-27)28-17-7-2-8-18-28)35(31)36-32(38)24-14-26-34(36)40(29-19-9-3-10-20-29)30-21-11-4-12-22-30/h1-26H
InChIKeyJOZSJFZATPHDRW-UHFFFAOYSA-N
XLogP8.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.46
LogP ≤ 58.18
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

(2-diphenylphosphanylphenyl)-diphenylphosphane;titanium
CID 174974517
(3-chloro-2-cyclopenta-2,4-dien-1-ylphenyl)-diphenylphosphane;bis(nickel(2+))
CID 159210730
[2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-3-chlorophenyl]-diphenylphosphane
CID 155290114
dichloro-(2-diphenylphosphanylphenyl)phosphane
CID 5108470
[2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane;sulfane
CID 134828499
(20-diphenylphosphanyl-3-tricyclo[14.4.0.02,7]icosa-1(16),2(7),3,5,17,19-hexaenyl)-diphenylphosphane
CID 134992051
(19-diphenylphosphanyl-3-tricyclo[13.4.0.02,7]nonadeca-1(15),2(7),3,5,16,18-hexaenyl)-diphenylphosphane
CID 134992058
bis([2-(2-diphenylphosphanylphenyl)phenyl]-diphenylphosphane);hydrate
CID 87203660
rhodium(3+);nonakis(triphenylphosphane);trichloride
CID 173040367
lithium bis(2-diphenylphosphanylphenyl)azanide
CID 87445331
triphenylphosphane
CID 139056248
acetic acid;[2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane;ruthenium
CID 10865680

Frequently Asked Questions

What is the IUPAC name of [3-chloro-2-(2-chloro-6-diphenylphosphanylphenyl)phenyl]-diphenylphosphane?
The IUPAC name of [3-chloro-2-(2-chloro-6-diphenylphosphanylphenyl)phenyl]-diphenylphosphane (CID 22415599) is [3-chloro-2-(2-chloro-6-diphenylphosphanylphenyl)phenyl]-diphenylphosphane.
What is the SMILES notation for [3-chloro-2-(2-chloro-6-diphenylphosphanylphenyl)phenyl]-diphenylphosphane?
The canonical SMILES for [3-chloro-2-(2-chloro-6-diphenylphosphanylphenyl)phenyl]-diphenylphosphane is Clc1cccc(P(c2ccccc2)c2ccccc2)c1-c1c(Cl)cccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of [3-chloro-2-(2-chloro-6-diphenylphosphanylphenyl)phenyl]-diphenylphosphane?
The InChIKey is JOZSJFZATPHDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26Cl2P2/c37-31-23-13-25-33(39(27-15-5-1-6-16-27)28-17-7-2-8-18-28)35(31)36-32(38)24-14-26-34(36)40(29-19-9-3-10-20-29)30-21-11-4-12-22-30/h1-26H.
What are the key properties of [3-chloro-2-(2-chloro-6-diphenylphosphanylphenyl)phenyl]-diphenylphosphane?
[3-chloro-2-(2-chloro-6-diphenylphosphanylphenyl)phenyl]-diphenylphosphane has a molecular weight of 591.46 g/mol, XLogP of 8.18, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-2-(2-chloro-6-diphenylphosphanylphenyl)phenyl]-diphenylphosphane is sourced from PubChem (CID 22415599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).