(4-bromodibenzofuran-2-yl)oxy-diphenylphosphane

C24H16BrO2P — CID 141477714

IUPAC(4-bromodibenzofuran-2-yl)oxy-diphenylphosphane
SMILESBrc1cc(OP(c2ccccc2)c2ccccc2)cc2c1oc1ccccc12
InChIInChI=1S/C24H16BrO2P/c25-22-16-17(15-21-20-13-7-8-14-23(20)26-24(21)22)27-28(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-16H
InChIKeyXFIUBGSXKZDQJG-UHFFFAOYSA-N
MW447.27 g/mol
LogP6.78
Rot. Bonds4

About (4-bromodibenzofuran-2-yl)oxy-diphenylphosphane

(4-bromodibenzofuran-2-yl)oxy-diphenylphosphane (PubChem CID 141477714) has the molecular formula C24H16BrO2P and a molecular weight of 447.27 g/mol. Its IUPAC name is (4-bromodibenzofuran-2-yl)oxy-diphenylphosphane.

Molecular Properties

Compound Name(4-bromodibenzofuran-2-yl)oxy-diphenylphosphane
PubChem CID141477714
Molecular FormulaC24H16BrO2P
Molecular Weight447.27 g/mol
Exact Mass446.01
IUPAC Name(4-bromodibenzofuran-2-yl)oxy-diphenylphosphane
SMILESBrc1cc(OP(c2ccccc2)c2ccccc2)cc2c1oc1ccccc12
InChIInChI=1S/C24H16BrO2P/c25-22-16-17(15-21-20-13-7-8-14-23(20)26-24(21)22)27-28(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-16H
InChIKeyXFIUBGSXKZDQJG-UHFFFAOYSA-N
XLogP6.78
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.27
LogP ≤ 56.78
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

4-bromodibenzofuran-2-amine
CID 122462972
4-bromo-2-propan-2-yldibenzofuran
CID 166912960
(3-methyl-1-benzofuran-2-yl)oxy-diphenylphosphane
CID 167440376
4-bromo-2-(2-methylpropyl)dibenzofuran
CID 166913108
4-bromo-6-dibenzofuran-4-yldibenzofuran
CID 147905511
4-bromo-6-phenyldibenzofuran;4-phenyldibenzofuran
CID 158212345
[4-bromo-8-(N-(9-phenylcarbazol-2-yl)anilino)dibenzofuran-2-yl] trifluoromethanesulfonate
CID 159227011
(4-bromo-8-triphenylsilyldibenzofuran-2-yl)-triphenylsilane
CID 58049810
4-bromodibenzofuran;4-phenylaniline
CID 122673561
4,15,27,38-tetraoxatridecacyclo[23.21.1.12,13.03,11.05,10.014,22.016,21.026,34.028,33.036,47.037,45.039,44.024,48]octatetraconta-1(47),2,5,7,9,11,13,16,18,20,22,24(48),25,28,30,32,34,36,39,41,43,45-docosaene
CID 90365819
4-bromodibenzofuran-3-amine
CID 142749742
12-bromo-3-oxa-20-thiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaene
CID 167303441

Frequently Asked Questions

What is the IUPAC name of (4-bromodibenzofuran-2-yl)oxy-diphenylphosphane?
The IUPAC name of (4-bromodibenzofuran-2-yl)oxy-diphenylphosphane (CID 141477714) is (4-bromodibenzofuran-2-yl)oxy-diphenylphosphane.
What is the SMILES notation for (4-bromodibenzofuran-2-yl)oxy-diphenylphosphane?
The canonical SMILES for (4-bromodibenzofuran-2-yl)oxy-diphenylphosphane is Brc1cc(OP(c2ccccc2)c2ccccc2)cc2c1oc1ccccc12.
What is the InChIKey of (4-bromodibenzofuran-2-yl)oxy-diphenylphosphane?
The InChIKey is XFIUBGSXKZDQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16BrO2P/c25-22-16-17(15-21-20-13-7-8-14-23(20)26-24(21)22)27-28(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-16H.
What are the key properties of (4-bromodibenzofuran-2-yl)oxy-diphenylphosphane?
(4-bromodibenzofuran-2-yl)oxy-diphenylphosphane has a molecular weight of 447.27 g/mol, XLogP of 6.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromodibenzofuran-2-yl)oxy-diphenylphosphane is sourced from PubChem (CID 141477714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).