(1-bromo-6-diphenylphosphanyloxydibenzothiophen-4-yl)oxy-diphenylphosphane

C36H25BrO2P2S — CID 141312339

IUPAC(1-bromo-6-diphenylphosphanyloxydibenzothiophen-4-yl)oxy-diphenylphosphane
SMILESBrc1ccc(OP(c2ccccc2)c2ccccc2)c2sc3c(OP(c4ccccc4)c4ccccc4)cccc3c12
InChIInChI=1S/C36H25BrO2P2S/c37-31-24-25-33(39-41(28-18-9-3-10-19-28)29-20-11-4-12-21-29)36-34(31)30-22-13-23-32(35(30)42-36)38-40(26-14-5-1-6-15-26)27-16-7-2-8-17-27/h1-25H
InChIKeyDLEHDJWHLRUQTB-UHFFFAOYSA-N
MW663.51 g/mol
LogP9.67
Rot. Bonds8

About (1-bromo-6-diphenylphosphanyloxydibenzothiophen-4-yl)oxy-diphenylphosphane

(1-bromo-6-diphenylphosphanyloxydibenzothiophen-4-yl)oxy-diphenylphosphane (PubChem CID 141312339) has the molecular formula C36H25BrO2P2S and a molecular weight of 663.51 g/mol. Its IUPAC name is (1-bromo-6-diphenylphosphanyloxydibenzothiophen-4-yl)oxy-diphenylphosphane.

Molecular Properties

Compound Name(1-bromo-6-diphenylphosphanyloxydibenzothiophen-4-yl)oxy-diphenylphosphane
PubChem CID141312339
Molecular FormulaC36H25BrO2P2S
Molecular Weight663.51 g/mol
Exact Mass662.02
IUPAC Name(1-bromo-6-diphenylphosphanyloxydibenzothiophen-4-yl)oxy-diphenylphosphane
SMILESBrc1ccc(OP(c2ccccc2)c2ccccc2)c2sc3c(OP(c4ccccc4)c4ccccc4)cccc3c12
InChIInChI=1S/C36H25BrO2P2S/c37-31-24-25-33(39-41(28-18-9-3-10-19-28)29-20-11-4-12-21-29)36-34(31)30-22-13-23-32(35(30)42-36)38-40(26-14-5-1-6-15-26)27-16-7-2-8-17-27/h1-25H
InChIKeyDLEHDJWHLRUQTB-UHFFFAOYSA-N
XLogP9.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.51
LogP ≤ 59.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1-bromo-6-diphenylphosphanyloxydibenzothiophen-4-yl)oxy-diphenylphosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,8-dibromodibenzothiophen-4-yl)oxy-diphenylphosphane
CID 141313665
(1-naphthalen-1-ylnaphthalen-2-yl)oxy-diphenylphosphane
CID 150565289
[2-(4-bromophenyl)phenoxy]-diphenylphosphane
CID 175562571
phenoxy(diphenyl)phosphane
CID 11543680
(3-methyl-1-benzothiophen-2-yl)oxy-diphenylphosphane
CID 167440379
(2,6-diphenylphenoxy)-diphenylphosphane
CID 86065519
4,5-dibromo-1-phenylnaphthalene
CID 155350544
1,4-dibromonaphthalene
CID 162208061
4-bromo-1-methoxy-9-methylcarbazole
CID 171449091
tris(2-bromophenyl) phosphite
CID 54277872
2-bromo-7-methoxy-1-benzothiophen-3-amine
CID 130798724
1-(6-bromodibenzothiophen-4-yl)dibenzofuran
CID 163710635

Frequently Asked Questions

What is the IUPAC name of (1-bromo-6-diphenylphosphanyloxydibenzothiophen-4-yl)oxy-diphenylphosphane?
The IUPAC name of (1-bromo-6-diphenylphosphanyloxydibenzothiophen-4-yl)oxy-diphenylphosphane (CID 141312339) is (1-bromo-6-diphenylphosphanyloxydibenzothiophen-4-yl)oxy-diphenylphosphane.
What is the SMILES notation for (1-bromo-6-diphenylphosphanyloxydibenzothiophen-4-yl)oxy-diphenylphosphane?
The canonical SMILES for (1-bromo-6-diphenylphosphanyloxydibenzothiophen-4-yl)oxy-diphenylphosphane is Brc1ccc(OP(c2ccccc2)c2ccccc2)c2sc3c(OP(c4ccccc4)c4ccccc4)cccc3c12.
What is the InChIKey of (1-bromo-6-diphenylphosphanyloxydibenzothiophen-4-yl)oxy-diphenylphosphane?
The InChIKey is DLEHDJWHLRUQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25BrO2P2S/c37-31-24-25-33(39-41(28-18-9-3-10-19-28)29-20-11-4-12-21-29)36-34(31)30-22-13-23-32(35(30)42-36)38-40(26-14-5-1-6-15-26)27-16-7-2-8-17-27/h1-25H.
What are the key properties of (1-bromo-6-diphenylphosphanyloxydibenzothiophen-4-yl)oxy-diphenylphosphane?
(1-bromo-6-diphenylphosphanyloxydibenzothiophen-4-yl)oxy-diphenylphosphane has a molecular weight of 663.51 g/mol, XLogP of 9.67, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromo-6-diphenylphosphanyloxydibenzothiophen-4-yl)oxy-diphenylphosphane is sourced from PubChem (CID 141312339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).