(20-diphenylphosphanyl-8,15-dioxatricyclo[14.4.0.02,7]icosa-1(16),2(7),3,5,17,19-hexaen-3-yl)-diphenylphosphane

C42H38O2P2 — CID 10579936

IUPAC(20-diphenylphosphanyl-8,15-dioxatricyclo[14.4.0.02,7]icosa-1(16),2(7),3,5,17,19-hexaen-3-yl)-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2cccc3c2-c2c(cccc2P(c2ccccc2)c2ccccc2)OCCCCCCO3)cc1
InChIInChI=1S/C42H38O2P2/c1-2-16-32-44-38-28-18-30-40(46(35-23-11-5-12-24-35)36-25-13-6-14-26-36)42(38)41-37(43-31-15-1)27-17-29-39(41)45(33-19-7-3-8-20-33)34-21-9-4-10-22-34/h3-14,17-30H,1-2,15-16,31-32H2
InChIKeyUENGBNLSVKNPJN-UHFFFAOYSA-N
MW636.71 g/mol
LogP8.20
Rot. Bonds6

About (20-diphenylphosphanyl-8,15-dioxatricyclo[14.4.0.02,7]icosa-1(16),2(7),3,5,17,19-hexaen-3-yl)-diphenylphosphane

(20-diphenylphosphanyl-8,15-dioxatricyclo[14.4.0.02,7]icosa-1(16),2(7),3,5,17,19-hexaen-3-yl)-diphenylphosphane (PubChem CID 10579936) has the molecular formula C42H38O2P2 and a molecular weight of 636.71 g/mol. Its IUPAC name is (20-diphenylphosphanyl-8,15-dioxatricyclo[14.4.0.02,7]icosa-1(16),2(7),3,5,17,19-hexaen-3-yl)-diphenylphosphane.

Molecular Properties

Compound Name(20-diphenylphosphanyl-8,15-dioxatricyclo[14.4.0.02,7]icosa-1(16),2(7),3,5,17,19-hexaen-3-yl)-diphenylphosphane
PubChem CID10579936
Molecular FormulaC42H38O2P2
Molecular Weight636.71 g/mol
Exact Mass636.23
IUPAC Name(20-diphenylphosphanyl-8,15-dioxatricyclo[14.4.0.02,7]icosa-1(16),2(7),3,5,17,19-hexaen-3-yl)-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2cccc3c2-c2c(cccc2P(c2ccccc2)c2ccccc2)OCCCCCCO3)cc1
InChIInChI=1S/C42H38O2P2/c1-2-16-32-44-38-28-18-30-40(46(35-23-11-5-12-24-35)36-25-13-6-14-26-36)42(38)41-37(43-31-15-1)27-17-29-39(41)45(33-19-7-3-8-20-33)34-21-9-4-10-22-34/h3-14,17-30H,1-2,15-16,31-32H2
InChIKeyUENGBNLSVKNPJN-UHFFFAOYSA-N
XLogP8.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.71
LogP ≤ 58.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (20-diphenylphosphanyl-8,15-dioxatricyclo[14.4.0.02,7]icosa-1(16),2(7),3,5,17,19-hexaen-3-yl)-diphenylphosphane?
The IUPAC name of (20-diphenylphosphanyl-8,15-dioxatricyclo[14.4.0.02,7]icosa-1(16),2(7),3,5,17,19-hexaen-3-yl)-diphenylphosphane (CID 10579936) is (20-diphenylphosphanyl-8,15-dioxatricyclo[14.4.0.02,7]icosa-1(16),2(7),3,5,17,19-hexaen-3-yl)-diphenylphosphane.
What is the SMILES notation for (20-diphenylphosphanyl-8,15-dioxatricyclo[14.4.0.02,7]icosa-1(16),2(7),3,5,17,19-hexaen-3-yl)-diphenylphosphane?
The canonical SMILES for (20-diphenylphosphanyl-8,15-dioxatricyclo[14.4.0.02,7]icosa-1(16),2(7),3,5,17,19-hexaen-3-yl)-diphenylphosphane is c1ccc(P(c2ccccc2)c2cccc3c2-c2c(cccc2P(c2ccccc2)c2ccccc2)OCCCCCCO3)cc1.
What is the InChIKey of (20-diphenylphosphanyl-8,15-dioxatricyclo[14.4.0.02,7]icosa-1(16),2(7),3,5,17,19-hexaen-3-yl)-diphenylphosphane?
The InChIKey is UENGBNLSVKNPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H38O2P2/c1-2-16-32-44-38-28-18-30-40(46(35-23-11-5-12-24-35)36-25-13-6-14-26-36)42(38)41-37(43-31-15-1)27-17-29-39(41)45(33-19-7-3-8-20-33)34-21-9-4-10-22-34/h3-14,17-30H,1-2,15-16,31-32H2.
What are the key properties of (20-diphenylphosphanyl-8,15-dioxatricyclo[14.4.0.02,7]icosa-1(16),2(7),3,5,17,19-hexaen-3-yl)-diphenylphosphane?
(20-diphenylphosphanyl-8,15-dioxatricyclo[14.4.0.02,7]icosa-1(16),2(7),3,5,17,19-hexaen-3-yl)-diphenylphosphane has a molecular weight of 636.71 g/mol, XLogP of 8.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (20-diphenylphosphanyl-8,15-dioxatricyclo[14.4.0.02,7]icosa-1(16),2(7),3,5,17,19-hexaen-3-yl)-diphenylphosphane is sourced from PubChem (CID 10579936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).