bis([2-(2-diphenylphosphanylphenyl)phenyl]-diphenylphosphane);hydrate

C72H58OP4 — CID 87203660

IUPACbis([2-(2-diphenylphosphanylphenyl)phenyl]-diphenylphosphane);hydrate
SMILESO.c1ccc(P(c2ccccc2)c2ccccc2-c2ccccc2P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2-c2ccccc2P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C36H28P2.H2O/c2*1-5-17-29(18-6-1)37(30-19-7-2-8-20-30)35-27-15-13-25-33(35)34-26-14-16-28-36(34)38(31-21-9-3-10-22-31)32-23-11-4-12-24-32;/h2*1-28H;1H2
InChIKeyNEVBDIVVYVTBMF-UHFFFAOYSA-N
MW1063.15 g/mol
LogP12.92
Rot. Bonds14

About bis([2-(2-diphenylphosphanylphenyl)phenyl]-diphenylphosphane);hydrate

bis([2-(2-diphenylphosphanylphenyl)phenyl]-diphenylphosphane);hydrate (PubChem CID 87203660) has the molecular formula C72H58OP4 and a molecular weight of 1063.15 g/mol. Its IUPAC name is bis([2-(2-diphenylphosphanylphenyl)phenyl]-diphenylphosphane);hydrate.

Molecular Properties

Compound Namebis([2-(2-diphenylphosphanylphenyl)phenyl]-diphenylphosphane);hydrate
PubChem CID87203660
Molecular FormulaC72H58OP4
Molecular Weight1063.15 g/mol
Exact Mass1062.34
IUPAC Namebis([2-(2-diphenylphosphanylphenyl)phenyl]-diphenylphosphane);hydrate
SMILESO.c1ccc(P(c2ccccc2)c2ccccc2-c2ccccc2P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2-c2ccccc2P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C36H28P2.H2O/c2*1-5-17-29(18-6-1)37(30-19-7-2-8-20-30)35-27-15-13-25-33(35)34-26-14-16-28-36(34)38(31-21-9-3-10-22-31)32-23-11-4-12-24-32;/h2*1-28H;1H2
InChIKeyNEVBDIVVYVTBMF-UHFFFAOYSA-N
XLogP12.92
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001063.15
LogP ≤ 512.92
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-[2-(2-methylphenyl)phenyl]phenyl]-diphenylphosphane
CID 142046194
(2-diphenylphosphanylphenyl)-diphenylphosphane;titanium
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CID 158378188
[2-(4-fluorophenyl)phenyl]-diphenylphosphane
CID 101050042
diphenyl-[2-(2,3,4-triphenylnaphthalen-1-yl)phenyl]phosphane
CID 166447914
[2-[2-chlorophosphanyl-6-(2-diphenylphosphanylphenyl)phenyl]phenyl]-diphenylphosphane
CID 151969344
lithium bis(2-diphenylphosphanylphenyl)azanide
CID 87445331
diphenyl-[2-[2-[(E)-1-phenylprop-1-enyl]phenyl]phenyl]phosphane
CID 164669457
triphenylphosphane
CID 139056248
dichloro-(2-diphenylphosphanylphenyl)phosphane
CID 5108470
rhenium;bis(triphenylphosphane);trichloride;hydrate
CID 131675016
[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane
CID 15410205

Frequently Asked Questions

What is the IUPAC name of bis([2-(2-diphenylphosphanylphenyl)phenyl]-diphenylphosphane);hydrate?
The IUPAC name of bis([2-(2-diphenylphosphanylphenyl)phenyl]-diphenylphosphane);hydrate (CID 87203660) is bis([2-(2-diphenylphosphanylphenyl)phenyl]-diphenylphosphane);hydrate.
What is the SMILES notation for bis([2-(2-diphenylphosphanylphenyl)phenyl]-diphenylphosphane);hydrate?
The canonical SMILES for bis([2-(2-diphenylphosphanylphenyl)phenyl]-diphenylphosphane);hydrate is O.c1ccc(P(c2ccccc2)c2ccccc2-c2ccccc2P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2-c2ccccc2P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis([2-(2-diphenylphosphanylphenyl)phenyl]-diphenylphosphane);hydrate?
The InChIKey is NEVBDIVVYVTBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C36H28P2.H2O/c2*1-5-17-29(18-6-1)37(30-19-7-2-8-20-30)35-27-15-13-25-33(35)34-26-14-16-28-36(34)38(31-21-9-3-10-22-31)32-23-11-4-12-24-32;/h2*1-28H;1H2.
What are the key properties of bis([2-(2-diphenylphosphanylphenyl)phenyl]-diphenylphosphane);hydrate?
bis([2-(2-diphenylphosphanylphenyl)phenyl]-diphenylphosphane);hydrate has a molecular weight of 1063.15 g/mol, XLogP of 12.92, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis([2-(2-diphenylphosphanylphenyl)phenyl]-diphenylphosphane);hydrate is sourced from PubChem (CID 87203660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).