1-[10-(1-diphenylphosphanylethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl]ethyl-diphenylphosphane

C38H36OP2 — CID 23403298

IUPAC1-[10-(1-diphenylphosphanylethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl]ethyl-diphenylphosphane
SMILESCC(C1C2OC(c3ccccc32)C1C(C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H36OP2/c1-27(40(29-17-7-3-8-18-29)30-19-9-4-10-20-30)35-36(38-34-26-16-15-25-33(34)37(35)39-38)28(2)41(31-21-11-5-12-22-31)32-23-13-6-14-24-32/h3-28,35-38H,1-2H3
InChIKeyWZUPOOLRYPZHOC-UHFFFAOYSA-N
MW570.65 g/mol
LogP8.09
Rot. Bonds8

About 1-[10-(1-diphenylphosphanylethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl]ethyl-diphenylphosphane

1-[10-(1-diphenylphosphanylethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl]ethyl-diphenylphosphane (PubChem CID 23403298) has the molecular formula C38H36OP2 and a molecular weight of 570.65 g/mol. Its IUPAC name is 1-[10-(1-diphenylphosphanylethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl]ethyl-diphenylphosphane.

Molecular Properties

Compound Name1-[10-(1-diphenylphosphanylethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl]ethyl-diphenylphosphane
PubChem CID23403298
Molecular FormulaC38H36OP2
Molecular Weight570.65 g/mol
Exact Mass570.22
IUPAC Name1-[10-(1-diphenylphosphanylethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl]ethyl-diphenylphosphane
SMILESCC(C1C2OC(c3ccccc32)C1C(C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H36OP2/c1-27(40(29-17-7-3-8-18-29)30-19-9-4-10-20-30)35-36(38-34-26-16-15-25-33(34)37(35)39-38)28(2)41(31-21-11-5-12-22-31)32-23-13-6-14-24-32/h3-28,35-38H,1-2H3
InChIKeyWZUPOOLRYPZHOC-UHFFFAOYSA-N
XLogP8.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.65
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[10-(1-diphenylphosphanylethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl]ethyl-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

(9R,10R)-9,10-di(propan-2-yl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 59070564
1-[2-(1-diphenylphosphanylethyl)cyclopentyl]ethyl-diphenylphosphane
CID 23403232
[(2R,3R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 2724948
1-[3-(1-diphenylphosphanylethyl)-1,4-diazabicyclo[2.2.2]octan-2-yl]ethyl-diphenylphosphane
CID 23403259
8-oxatricyclo[4.3.0.07,9]nona-1,3,5-triene
CID 87081194
2-diphenylphosphanylpropanoic acid
CID 14902743
[(1S)-1-[(1R,2R)-2-diphenylphosphanylcyclopentyl]ethyl]-diphenylphosphane
CID 141093024
dichlorocobalt;[(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 11364946
dichloronickel;[(2R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 88642037
[(1S)-1-[(3aS,5S,6S,6aR)-6-diphenylphosphanyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethyl]-diphenylphosphane
CID 101138992
(1R,8R,9R,11R)-10,12-dioxatetracyclo[6.3.1.02,7.09,11]dodeca-2,4,6-triene
CID 98543355
(5-diphenylphosphanyl-3,4-diphenylhexan-2-yl)-diphenylphosphane
CID 23403284

Frequently Asked Questions

What is the IUPAC name of 1-[10-(1-diphenylphosphanylethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl]ethyl-diphenylphosphane?
The IUPAC name of 1-[10-(1-diphenylphosphanylethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl]ethyl-diphenylphosphane (CID 23403298) is 1-[10-(1-diphenylphosphanylethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl]ethyl-diphenylphosphane.
What is the SMILES notation for 1-[10-(1-diphenylphosphanylethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl]ethyl-diphenylphosphane?
The canonical SMILES for 1-[10-(1-diphenylphosphanylethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl]ethyl-diphenylphosphane is CC(C1C2OC(c3ccccc32)C1C(C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[10-(1-diphenylphosphanylethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl]ethyl-diphenylphosphane?
The InChIKey is WZUPOOLRYPZHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H36OP2/c1-27(40(29-17-7-3-8-18-29)30-19-9-4-10-20-30)35-36(38-34-26-16-15-25-33(34)37(35)39-38)28(2)41(31-21-11-5-12-22-31)32-23-13-6-14-24-32/h3-28,35-38H,1-2H3.
What are the key properties of 1-[10-(1-diphenylphosphanylethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl]ethyl-diphenylphosphane?
1-[10-(1-diphenylphosphanylethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl]ethyl-diphenylphosphane has a molecular weight of 570.65 g/mol, XLogP of 8.09, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[10-(1-diphenylphosphanylethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl]ethyl-diphenylphosphane is sourced from PubChem (CID 23403298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).