1,1'-biphenyl;triphenylphosphanium;hydroxide

C30H27OP — CID 18407779

IUPAC1,1'-biphenyl;triphenylphosphanium;hydroxide
SMILES[OH-].c1ccc(-c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C12H10.H2O/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;/h1-15H;1-10H;1H2
InChIKeyNZMNCFCLQKFTRW-UHFFFAOYSA-N
MW434.52 g/mol
LogP6.35
Rot. Bonds4

About 1,1'-biphenyl;triphenylphosphanium;hydroxide

1,1'-biphenyl;triphenylphosphanium;hydroxide (PubChem CID 18407779) has the molecular formula C30H27OP and a molecular weight of 434.52 g/mol. Its IUPAC name is 1,1'-biphenyl;triphenylphosphanium;hydroxide.

Molecular Properties

Compound Name1,1'-biphenyl;triphenylphosphanium;hydroxide
PubChem CID18407779
Molecular FormulaC30H27OP
Molecular Weight434.52 g/mol
Exact Mass434.18
IUPAC Name1,1'-biphenyl;triphenylphosphanium;hydroxide
SMILES[OH-].c1ccc(-c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C12H10.H2O/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;/h1-15H;1-10H;1H2
InChIKeyNZMNCFCLQKFTRW-UHFFFAOYSA-N
XLogP6.35
TPSA30.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.52
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;triphenylphosphanium;hydroxide?
The IUPAC name of 1,1'-biphenyl;triphenylphosphanium;hydroxide (CID 18407779) is 1,1'-biphenyl;triphenylphosphanium;hydroxide.
What is the SMILES notation for 1,1'-biphenyl;triphenylphosphanium;hydroxide?
The canonical SMILES for 1,1'-biphenyl;triphenylphosphanium;hydroxide is [OH-].c1ccc(-c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;triphenylphosphanium;hydroxide?
The InChIKey is NZMNCFCLQKFTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15P.C12H10.H2O/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;/h1-15H;1-10H;1H2.
What are the key properties of 1,1'-biphenyl;triphenylphosphanium;hydroxide?
1,1'-biphenyl;triphenylphosphanium;hydroxide has a molecular weight of 434.52 g/mol, XLogP of 6.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;triphenylphosphanium;hydroxide is sourced from PubChem (CID 18407779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).