(2-diphenylphosphanylphenyl)-diphenylphosphane;titanium

C30H24P2Ti — CID 174974517

IUPAC(2-diphenylphosphanylphenyl)-diphenylphosphane;titanium
SMILES[Ti].c1ccc(P(c2ccccc2)c2ccccc2P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H24P2.Ti/c1-5-15-25(16-6-1)31(26-17-7-2-8-18-26)29-23-13-14-24-30(29)32(27-19-9-3-10-20-27)28-21-11-4-12-22-28;/h1-24H;
InChIKeyRESJBJRLRMMTCO-UHFFFAOYSA-N
MW494.34 g/mol
LogP5.20
Rot. Bonds6

About (2-diphenylphosphanylphenyl)-diphenylphosphane;titanium

(2-diphenylphosphanylphenyl)-diphenylphosphane;titanium (PubChem CID 174974517) has the molecular formula C30H24P2Ti and a molecular weight of 494.34 g/mol. Its IUPAC name is (2-diphenylphosphanylphenyl)-diphenylphosphane;titanium.

Molecular Properties

Compound Name(2-diphenylphosphanylphenyl)-diphenylphosphane;titanium
PubChem CID174974517
Molecular FormulaC30H24P2Ti
Molecular Weight494.34 g/mol
Exact Mass494.08
IUPAC Name(2-diphenylphosphanylphenyl)-diphenylphosphane;titanium
SMILES[Ti].c1ccc(P(c2ccccc2)c2ccccc2P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H24P2.Ti/c1-5-15-25(16-6-1)31(26-17-7-2-8-18-26)29-23-13-14-24-30(29)32(27-19-9-3-10-20-27)28-21-11-4-12-22-28;/h1-24H;
InChIKeyRESJBJRLRMMTCO-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.34
LogP ≤ 55.20
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

dichloro-(2-diphenylphosphanylphenyl)phosphane
CID 5108470
bis([2-(2-diphenylphosphanylphenyl)phenyl]-diphenylphosphane);hydrate
CID 87203660
triphenylphosphane
CID 139056248
copper monohydride;hexakis(triphenylphosphane)
CID 134992255
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
triphenylphosphane;yttrium
CID 139917776
tris(triphenylphosphane);hydrobromide
CID 172722268
tris(triphenylphosphane);trihydrochloride
CID 173282987
palladium;bis(triphenylphosphane)
CID 10122028
silane;triphenylphosphane
CID 161037280
plutonium;triphenylphosphane
CID 161300359
iron dihydride;tetrakis(triphenylphosphane)
CID 172730134

Frequently Asked Questions

What is the IUPAC name of (2-diphenylphosphanylphenyl)-diphenylphosphane;titanium?
The IUPAC name of (2-diphenylphosphanylphenyl)-diphenylphosphane;titanium (CID 174974517) is (2-diphenylphosphanylphenyl)-diphenylphosphane;titanium.
What is the SMILES notation for (2-diphenylphosphanylphenyl)-diphenylphosphane;titanium?
The canonical SMILES for (2-diphenylphosphanylphenyl)-diphenylphosphane;titanium is [Ti].c1ccc(P(c2ccccc2)c2ccccc2P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (2-diphenylphosphanylphenyl)-diphenylphosphane;titanium?
The InChIKey is RESJBJRLRMMTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24P2.Ti/c1-5-15-25(16-6-1)31(26-17-7-2-8-18-26)29-23-13-14-24-30(29)32(27-19-9-3-10-20-27)28-21-11-4-12-22-28;/h1-24H;.
What are the key properties of (2-diphenylphosphanylphenyl)-diphenylphosphane;titanium?
(2-diphenylphosphanylphenyl)-diphenylphosphane;titanium has a molecular weight of 494.34 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-diphenylphosphanylphenyl)-diphenylphosphane;titanium is sourced from PubChem (CID 174974517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).