(1,3-dibromoazulen-2-yl)-diphenylphosphane

C22H15Br2P — CID 102277157

IUPAC(1,3-dibromoazulen-2-yl)-diphenylphosphane
SMILESBrc1c2cccccc-2c(Br)c1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H15Br2P/c23-20-18-14-8-3-9-15-19(18)21(24)22(20)25(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15H
InChIKeyWBDKQLQZHWRXOD-UHFFFAOYSA-N
MW470.14 g/mol
LogP6.07
Rot. Bonds3

About (1,3-dibromoazulen-2-yl)-diphenylphosphane

(1,3-dibromoazulen-2-yl)-diphenylphosphane (PubChem CID 102277157) has the molecular formula C22H15Br2P and a molecular weight of 470.14 g/mol. Its IUPAC name is (1,3-dibromoazulen-2-yl)-diphenylphosphane.

Molecular Properties

Compound Name(1,3-dibromoazulen-2-yl)-diphenylphosphane
PubChem CID102277157
Molecular FormulaC22H15Br2P
Molecular Weight470.14 g/mol
Exact Mass467.93
IUPAC Name(1,3-dibromoazulen-2-yl)-diphenylphosphane
SMILESBrc1c2cccccc-2c(Br)c1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H15Br2P/c23-20-18-14-8-3-9-15-19(18)21(24)22(20)25(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15H
InChIKeyWBDKQLQZHWRXOD-UHFFFAOYSA-N
XLogP6.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.14
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

triphenylphosphane
CID 139056248
(10-diphenylphosphanylanthracen-9-yl)-diphenylphosphane
CID 12979651
palladium;bis(triphenylphosphane)
CID 10122028
tris(triphenylphosphane);trihydrochloride
CID 173282987
tris(triphenylphosphane);hydrobromide
CID 172722268
triphenylphosphane;yttrium
CID 139917776
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
copper monohydride;hexakis(triphenylphosphane)
CID 134992255
silane;triphenylphosphane
CID 161037280
plutonium;triphenylphosphane
CID 161300359
iron dihydride;tetrakis(triphenylphosphane)
CID 172730134
CID 87948921
CID 87948921

Frequently Asked Questions

What is the IUPAC name of (1,3-dibromoazulen-2-yl)-diphenylphosphane?
The IUPAC name of (1,3-dibromoazulen-2-yl)-diphenylphosphane (CID 102277157) is (1,3-dibromoazulen-2-yl)-diphenylphosphane.
What is the SMILES notation for (1,3-dibromoazulen-2-yl)-diphenylphosphane?
The canonical SMILES for (1,3-dibromoazulen-2-yl)-diphenylphosphane is Brc1c2cccccc-2c(Br)c1P(c1ccccc1)c1ccccc1.
What is the InChIKey of (1,3-dibromoazulen-2-yl)-diphenylphosphane?
The InChIKey is WBDKQLQZHWRXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Br2P/c23-20-18-14-8-3-9-15-19(18)21(24)22(20)25(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15H.
What are the key properties of (1,3-dibromoazulen-2-yl)-diphenylphosphane?
(1,3-dibromoazulen-2-yl)-diphenylphosphane has a molecular weight of 470.14 g/mol, XLogP of 6.07, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dibromoazulen-2-yl)-diphenylphosphane is sourced from PubChem (CID 102277157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).