(2,8-dibromodibenzothiophen-4-yl)oxy-diphenylphosphane

C24H15Br2OPS — CID 141313665

IUPAC(2,8-dibromodibenzothiophen-4-yl)oxy-diphenylphosphane
SMILESBrc1ccc2sc3c(OP(c4ccccc4)c4ccccc4)cc(Br)cc3c2c1
InChIInChI=1S/C24H15Br2OPS/c25-16-11-12-23-20(13-16)21-14-17(26)15-22(24(21)29-23)27-28(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-15H
InChIKeyVFQZNZGWDRDXQU-UHFFFAOYSA-N
MW542.23 g/mol
LogP8.01
Rot. Bonds4

About (2,8-dibromodibenzothiophen-4-yl)oxy-diphenylphosphane

(2,8-dibromodibenzothiophen-4-yl)oxy-diphenylphosphane (PubChem CID 141313665) has the molecular formula C24H15Br2OPS and a molecular weight of 542.23 g/mol. Its IUPAC name is (2,8-dibromodibenzothiophen-4-yl)oxy-diphenylphosphane.

Molecular Properties

Compound Name(2,8-dibromodibenzothiophen-4-yl)oxy-diphenylphosphane
PubChem CID141313665
Molecular FormulaC24H15Br2OPS
Molecular Weight542.23 g/mol
Exact Mass539.89
IUPAC Name(2,8-dibromodibenzothiophen-4-yl)oxy-diphenylphosphane
SMILESBrc1ccc2sc3c(OP(c4ccccc4)c4ccccc4)cc(Br)cc3c2c1
InChIInChI=1S/C24H15Br2OPS/c25-16-11-12-23-20(13-16)21-14-17(26)15-22(24(21)29-23)27-28(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-15H
InChIKeyVFQZNZGWDRDXQU-UHFFFAOYSA-N
XLogP8.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.23
LogP ≤ 58.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromodibenzothiophene;dibenzothiophene
CID 158379286
(1-bromo-6-diphenylphosphanyloxydibenzothiophen-4-yl)oxy-diphenylphosphane
CID 141312339
molecular bromine;5,14,23-tribromo-9,18,27-trithiaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene;9,18,27-trithiaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaene
CID 159179168
[2-(4-bromophenyl)phenoxy]-diphenylphosphane
CID 175562571
chloromethane;dibenzothiophene;2,8-dibromodibenzothiophene;molecular bromine
CID 157372043
7-bromo-[1]benzothiolo[3,2-b]chromen-11-one
CID 153449997
5-bromo-2,3-diphenyl-1-benzothiophene
CID 13027064
5,18-dibromo-9,14-dithiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 58004069
2-bromo-8-iododibenzothiophene
CID 90306270
10-bromo-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaene
CID 126720620
2-bromo-7-phenylthioxanthen-9-one
CID 123137766
3-bromo-6-methoxydibenzothiophene
CID 166155743

Frequently Asked Questions

What is the IUPAC name of (2,8-dibromodibenzothiophen-4-yl)oxy-diphenylphosphane?
The IUPAC name of (2,8-dibromodibenzothiophen-4-yl)oxy-diphenylphosphane (CID 141313665) is (2,8-dibromodibenzothiophen-4-yl)oxy-diphenylphosphane.
What is the SMILES notation for (2,8-dibromodibenzothiophen-4-yl)oxy-diphenylphosphane?
The canonical SMILES for (2,8-dibromodibenzothiophen-4-yl)oxy-diphenylphosphane is Brc1ccc2sc3c(OP(c4ccccc4)c4ccccc4)cc(Br)cc3c2c1.
What is the InChIKey of (2,8-dibromodibenzothiophen-4-yl)oxy-diphenylphosphane?
The InChIKey is VFQZNZGWDRDXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15Br2OPS/c25-16-11-12-23-20(13-16)21-14-17(26)15-22(24(21)29-23)27-28(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-15H.
What are the key properties of (2,8-dibromodibenzothiophen-4-yl)oxy-diphenylphosphane?
(2,8-dibromodibenzothiophen-4-yl)oxy-diphenylphosphane has a molecular weight of 542.23 g/mol, XLogP of 8.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,8-dibromodibenzothiophen-4-yl)oxy-diphenylphosphane is sourced from PubChem (CID 141313665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).