(22-diphenylphosphanyl-8,17-dioxatricyclo[16.4.0.02,7]docosa-1(18),2(7),3,5,19,21-hexaen-3-yl)-diphenylphosphane

C44H42O2P2 — CID 127262679

IUPAC(22-diphenylphosphanyl-8,17-dioxatricyclo[16.4.0.02,7]docosa-1(18),2(7),3,5,19,21-hexaen-3-yl)-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2cccc3c2-c2c(cccc2P(c2ccccc2)c2ccccc2)OCCCCCCCCO3)cc1
InChIInChI=1S/C44H42O2P2/c1-2-4-18-34-46-40-30-20-32-42(48(37-25-13-7-14-26-37)38-27-15-8-16-28-38)44(40)43-39(45-33-17-3-1)29-19-31-41(43)47(35-21-9-5-10-22-35)36-23-11-6-12-24-36/h5-16,19-32H,1-4,17-18,33-34H2
InChIKeyUOVQTBRBNONBGN-UHFFFAOYSA-N
MW664.77 g/mol
LogP8.98
Rot. Bonds6

About (22-diphenylphosphanyl-8,17-dioxatricyclo[16.4.0.02,7]docosa-1(18),2(7),3,5,19,21-hexaen-3-yl)-diphenylphosphane

(22-diphenylphosphanyl-8,17-dioxatricyclo[16.4.0.02,7]docosa-1(18),2(7),3,5,19,21-hexaen-3-yl)-diphenylphosphane (PubChem CID 127262679) has the molecular formula C44H42O2P2 and a molecular weight of 664.77 g/mol. Its IUPAC name is (22-diphenylphosphanyl-8,17-dioxatricyclo[16.4.0.02,7]docosa-1(18),2(7),3,5,19,21-hexaen-3-yl)-diphenylphosphane.

Molecular Properties

Compound Name(22-diphenylphosphanyl-8,17-dioxatricyclo[16.4.0.02,7]docosa-1(18),2(7),3,5,19,21-hexaen-3-yl)-diphenylphosphane
PubChem CID127262679
Molecular FormulaC44H42O2P2
Molecular Weight664.77 g/mol
Exact Mass664.27
IUPAC Name(22-diphenylphosphanyl-8,17-dioxatricyclo[16.4.0.02,7]docosa-1(18),2(7),3,5,19,21-hexaen-3-yl)-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2cccc3c2-c2c(cccc2P(c2ccccc2)c2ccccc2)OCCCCCCCCO3)cc1
InChIInChI=1S/C44H42O2P2/c1-2-4-18-34-46-40-30-20-32-42(48(37-25-13-7-14-26-37)38-27-15-8-16-28-38)44(40)43-39(45-33-17-3-1)29-19-31-41(43)47(35-21-9-5-10-22-35)36-23-11-6-12-24-36/h5-16,19-32H,1-4,17-18,33-34H2
InChIKeyUOVQTBRBNONBGN-UHFFFAOYSA-N
XLogP8.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.77
LogP ≤ 58.98
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 (22-diphenylphosphanyl-8,17-dioxatricyclo[16.4.0.02,7]docosa-1(18),2(7),3,5,19,21-hexaen-3-yl)-diphenylphosphane?
The IUPAC name of (22-diphenylphosphanyl-8,17-dioxatricyclo[16.4.0.02,7]docosa-1(18),2(7),3,5,19,21-hexaen-3-yl)-diphenylphosphane (CID 127262679) is (22-diphenylphosphanyl-8,17-dioxatricyclo[16.4.0.02,7]docosa-1(18),2(7),3,5,19,21-hexaen-3-yl)-diphenylphosphane.
What is the SMILES notation for (22-diphenylphosphanyl-8,17-dioxatricyclo[16.4.0.02,7]docosa-1(18),2(7),3,5,19,21-hexaen-3-yl)-diphenylphosphane?
The canonical SMILES for (22-diphenylphosphanyl-8,17-dioxatricyclo[16.4.0.02,7]docosa-1(18),2(7),3,5,19,21-hexaen-3-yl)-diphenylphosphane is c1ccc(P(c2ccccc2)c2cccc3c2-c2c(cccc2P(c2ccccc2)c2ccccc2)OCCCCCCCCO3)cc1.
What is the InChIKey of (22-diphenylphosphanyl-8,17-dioxatricyclo[16.4.0.02,7]docosa-1(18),2(7),3,5,19,21-hexaen-3-yl)-diphenylphosphane?
The InChIKey is UOVQTBRBNONBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H42O2P2/c1-2-4-18-34-46-40-30-20-32-42(48(37-25-13-7-14-26-37)38-27-15-8-16-28-38)44(40)43-39(45-33-17-3-1)29-19-31-41(43)47(35-21-9-5-10-22-35)36-23-11-6-12-24-36/h5-16,19-32H,1-4,17-18,33-34H2.
What are the key properties of (22-diphenylphosphanyl-8,17-dioxatricyclo[16.4.0.02,7]docosa-1(18),2(7),3,5,19,21-hexaen-3-yl)-diphenylphosphane?
(22-diphenylphosphanyl-8,17-dioxatricyclo[16.4.0.02,7]docosa-1(18),2(7),3,5,19,21-hexaen-3-yl)-diphenylphosphane has a molecular weight of 664.77 g/mol, XLogP of 8.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (22-diphenylphosphanyl-8,17-dioxatricyclo[16.4.0.02,7]docosa-1(18),2(7),3,5,19,21-hexaen-3-yl)-diphenylphosphane is sourced from PubChem (CID 127262679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).