1,1'-biphenyl;phenol;triphenylphosphane

C36H31OP — CID 173130424

IUPAC1,1'-biphenyl;phenol;triphenylphosphane
SMILESOc1ccccc1.c1ccc(-c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C12H10.C6H6O/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-7-11(8-4-1)12-9-5-2-6-10-12;7-6-4-2-1-3-5-6/h1-15H;1-10H;1-5,7H
InChIKeyMZJABPBYPUWFRX-UHFFFAOYSA-N
MW510.62 g/mol
LogP8.19
Rot. Bonds4

About 1,1'-biphenyl;phenol;triphenylphosphane

1,1'-biphenyl;phenol;triphenylphosphane (PubChem CID 173130424) has the molecular formula C36H31OP and a molecular weight of 510.62 g/mol. Its IUPAC name is 1,1'-biphenyl;phenol;triphenylphosphane.

Molecular Properties

Compound Name1,1'-biphenyl;phenol;triphenylphosphane
PubChem CID173130424
Molecular FormulaC36H31OP
Molecular Weight510.62 g/mol
Exact Mass510.21
IUPAC Name1,1'-biphenyl;phenol;triphenylphosphane
SMILESOc1ccccc1.c1ccc(-c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C12H10.C6H6O/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-7-11(8-4-1)12-9-5-2-6-10-12;7-6-4-2-1-3-5-6/h1-15H;1-10H;1-5,7H
InChIKeyMZJABPBYPUWFRX-UHFFFAOYSA-N
XLogP8.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.62
LogP ≤ 58.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1,1'-biphenyl;bis(4-diphenylphosphanylphenol)
CID 172747492
benzene;1,1'-biphenyl;phenol
CID 159528072
bis(1,1'-biphenyl);carbonic acid;bis(triphenylphosphane)
CID 173130885
benzene-1,4-diol;bis(1,1'-biphenyl)
CID 161250566
triphenylphosphane
CID 139056248
carbon monoxide;4-diphenylphosphanylphenol;tungsten
CID 11039303
1,1'-biphenyl;naphthalene;phenol
CID 159002551
iron dihydride;tetrakis(triphenylphosphane)
CID 172730134
tris(triphenylphosphane);trihydrochloride
CID 173282987
palladium;bis(triphenylphosphane)
CID 10122028
tris(triphenylphosphane);hydrobromide
CID 172722268
triphenylphosphane;yttrium
CID 139917776

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;phenol;triphenylphosphane?
The IUPAC name of 1,1'-biphenyl;phenol;triphenylphosphane (CID 173130424) is 1,1'-biphenyl;phenol;triphenylphosphane.
What is the SMILES notation for 1,1'-biphenyl;phenol;triphenylphosphane?
The canonical SMILES for 1,1'-biphenyl;phenol;triphenylphosphane is Oc1ccccc1.c1ccc(-c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;phenol;triphenylphosphane?
The InChIKey is MZJABPBYPUWFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15P.C12H10.C6H6O/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-7-11(8-4-1)12-9-5-2-6-10-12;7-6-4-2-1-3-5-6/h1-15H;1-10H;1-5,7H.
What are the key properties of 1,1'-biphenyl;phenol;triphenylphosphane?
1,1'-biphenyl;phenol;triphenylphosphane has a molecular weight of 510.62 g/mol, XLogP of 8.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;phenol;triphenylphosphane is sourced from PubChem (CID 173130424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).