phenoxy(tetraphenyl)-λ5-phosphane;hydrobromide

C30H26BrOP — CID 173280486

IUPACphenoxy(tetraphenyl)-λ5-phosphane;hydrobromide
SMILESBr.c1ccc(OP(c2ccccc2)(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H25OP.BrH/c1-6-16-26(17-7-1)31-32(27-18-8-2-9-19-27,28-20-10-3-11-21-28,29-22-12-4-13-23-29)30-24-14-5-15-25-30;/h1-25H;1H
InChIKeyOJZWQIXIDYJJFT-UHFFFAOYSA-N
MW513.42 g/mol
LogP6.41
Rot. Bonds6

About phenoxy(tetraphenyl)-λ5-phosphane;hydrobromide

phenoxy(tetraphenyl)-λ5-phosphane;hydrobromide (PubChem CID 173280486) has the molecular formula C30H26BrOP and a molecular weight of 513.42 g/mol. Its IUPAC name is phenoxy(tetraphenyl)-λ5-phosphane;hydrobromide.

Molecular Properties

Compound Namephenoxy(tetraphenyl)-λ5-phosphane;hydrobromide
PubChem CID173280486
Molecular FormulaC30H26BrOP
Molecular Weight513.42 g/mol
Exact Mass512.09
IUPAC Namephenoxy(tetraphenyl)-λ5-phosphane;hydrobromide
SMILESBr.c1ccc(OP(c2ccccc2)(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H25OP.BrH/c1-6-16-26(17-7-1)31-32(27-18-8-2-9-19-27,28-20-10-3-11-21-28,29-22-12-4-13-23-29)30-24-14-5-15-25-30;/h1-25H;1H
InChIKeyOJZWQIXIDYJJFT-UHFFFAOYSA-N
XLogP6.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.42
LogP ≤ 56.41
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 phenoxy(tetraphenyl)-λ5-phosphane;hydrobromide?
The IUPAC name of phenoxy(tetraphenyl)-λ5-phosphane;hydrobromide (CID 173280486) is phenoxy(tetraphenyl)-λ5-phosphane;hydrobromide.
What is the SMILES notation for phenoxy(tetraphenyl)-λ5-phosphane;hydrobromide?
The canonical SMILES for phenoxy(tetraphenyl)-λ5-phosphane;hydrobromide is Br.c1ccc(OP(c2ccccc2)(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of phenoxy(tetraphenyl)-λ5-phosphane;hydrobromide?
The InChIKey is OJZWQIXIDYJJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25OP.BrH/c1-6-16-26(17-7-1)31-32(27-18-8-2-9-19-27,28-20-10-3-11-21-28,29-22-12-4-13-23-29)30-24-14-5-15-25-30;/h1-25H;1H.
What are the key properties of phenoxy(tetraphenyl)-λ5-phosphane;hydrobromide?
phenoxy(tetraphenyl)-λ5-phosphane;hydrobromide has a molecular weight of 513.42 g/mol, XLogP of 6.41, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenoxy(tetraphenyl)-λ5-phosphane;hydrobromide is sourced from PubChem (CID 173280486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).