tris((3-phenylphenyl)phosphane);dihydrochloride

C36H35Cl2P3 — CID 172697687

IUPACtris((3-phenylphenyl)phosphane);dihydrochloride
SMILESCl.Cl.Pc1cccc(-c2ccccc2)c1.Pc1cccc(-c2ccccc2)c1.Pc1cccc(-c2ccccc2)c1
InChIInChI=1S/3C12H11P.2ClH/c3*13-12-8-4-7-11(9-12)10-5-2-1-3-6-10;;/h3*1-9H,13H2;2*1H
InChIKeyCNRJKQPMLZFSIV-UHFFFAOYSA-N
MW631.50 g/mol
LogP9.41
Rot. Bonds3

About tris((3-phenylphenyl)phosphane);dihydrochloride

tris((3-phenylphenyl)phosphane);dihydrochloride (PubChem CID 172697687) has the molecular formula C36H35Cl2P3 and a molecular weight of 631.50 g/mol. Its IUPAC name is tris((3-phenylphenyl)phosphane);dihydrochloride.

Molecular Properties

Compound Nametris((3-phenylphenyl)phosphane);dihydrochloride
PubChem CID172697687
Molecular FormulaC36H35Cl2P3
Molecular Weight631.50 g/mol
Exact Mass630.13
IUPAC Nametris((3-phenylphenyl)phosphane);dihydrochloride
SMILESCl.Cl.Pc1cccc(-c2ccccc2)c1.Pc1cccc(-c2ccccc2)c1.Pc1cccc(-c2ccccc2)c1
InChIInChI=1S/3C12H11P.2ClH/c3*13-12-8-4-7-11(9-12)10-5-2-1-3-6-10;;/h3*1-9H,13H2;2*1H
InChIKeyCNRJKQPMLZFSIV-UHFFFAOYSA-N
XLogP9.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.50
LogP ≤ 59.41
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

1,4-bis[3-(3-phenylphenyl)phenyl]benzene
CID 123341500
1-(3-phenylphenyl)-3,5-bis[3-(3-phenylphenyl)phenyl]benzene
CID 177124488
1-phenyl-4-[3-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 12623236
phenylphosphane;hydrochloride
CID 172838104
1,3-bis(3,5-diphenylphenyl)-5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene
CID 166563615
1-[3-(4-phenylphenyl)phenyl]-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]-5-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124478
bis(1,3-diphenylbenzene);ethane
CID 144938975
1-(3-phenylphenyl)-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-(3-phenylphenyl)-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124504
1,3,5-triphenylbenzene;trihydrochloride
CID 172862781
nickel;phenylphosphane;hydrochloride
CID 88505653
azulene;phosphane
CID 175448344
phenylphosphane
CID 160937143

Frequently Asked Questions

What is the IUPAC name of tris((3-phenylphenyl)phosphane);dihydrochloride?
The IUPAC name of tris((3-phenylphenyl)phosphane);dihydrochloride (CID 172697687) is tris((3-phenylphenyl)phosphane);dihydrochloride.
What is the SMILES notation for tris((3-phenylphenyl)phosphane);dihydrochloride?
The canonical SMILES for tris((3-phenylphenyl)phosphane);dihydrochloride is Cl.Cl.Pc1cccc(-c2ccccc2)c1.Pc1cccc(-c2ccccc2)c1.Pc1cccc(-c2ccccc2)c1.
What is the InChIKey of tris((3-phenylphenyl)phosphane);dihydrochloride?
The InChIKey is CNRJKQPMLZFSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H11P.2ClH/c3*13-12-8-4-7-11(9-12)10-5-2-1-3-6-10;;/h3*1-9H,13H2;2*1H.
What are the key properties of tris((3-phenylphenyl)phosphane);dihydrochloride?
tris((3-phenylphenyl)phosphane);dihydrochloride has a molecular weight of 631.50 g/mol, XLogP of 9.41, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris((3-phenylphenyl)phosphane);dihydrochloride is sourced from PubChem (CID 172697687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).