(6-diphenylphosphanyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-10-yl)-diphenylphosphane

C40H28OP2 — CID 11039191

IUPAC(6-diphenylphosphanyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-10-yl)-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2cccc3c2Oc2c(P(c4ccccc4)c4ccccc4)ccc4cccc-3c24)cc1
InChIInChI=1S/C40H28OP2/c1-5-16-30(17-6-1)42(31-18-7-2-8-19-31)36-26-14-25-35-34-24-13-15-29-27-28-37(40(38(29)34)41-39(35)36)43(32-20-9-3-10-21-32)33-22-11-4-12-23-33/h1-28H
InChIKeySLADUUFDDWXCTD-UHFFFAOYSA-N
MW586.61 g/mol
LogP8.13
Rot. Bonds6

About (6-diphenylphosphanyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-10-yl)-diphenylphosphane

(6-diphenylphosphanyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-10-yl)-diphenylphosphane (PubChem CID 11039191) has the molecular formula C40H28OP2 and a molecular weight of 586.61 g/mol. Its IUPAC name is (6-diphenylphosphanyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-10-yl)-diphenylphosphane.

Molecular Properties

Compound Name(6-diphenylphosphanyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-10-yl)-diphenylphosphane
PubChem CID11039191
Molecular FormulaC40H28OP2
Molecular Weight586.61 g/mol
Exact Mass586.16
IUPAC Name(6-diphenylphosphanyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-10-yl)-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2cccc3c2Oc2c(P(c4ccccc4)c4ccccc4)ccc4cccc-3c24)cc1
InChIInChI=1S/C40H28OP2/c1-5-16-30(17-6-1)42(31-18-7-2-8-19-31)36-26-14-25-35-34-24-13-15-29-27-28-37(40(38(29)34)41-39(35)36)43(32-20-9-3-10-21-32)33-22-11-4-12-23-33/h1-28H
InChIKeySLADUUFDDWXCTD-UHFFFAOYSA-N
XLogP8.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.61
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (6-diphenylphosphanyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-10-yl)-diphenylphosphane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6-diphenylphosphanyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-10-yl)-diphenylphosphane?
The IUPAC name of (6-diphenylphosphanyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-10-yl)-diphenylphosphane (CID 11039191) is (6-diphenylphosphanyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-10-yl)-diphenylphosphane.
What is the SMILES notation for (6-diphenylphosphanyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-10-yl)-diphenylphosphane?
The canonical SMILES for (6-diphenylphosphanyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-10-yl)-diphenylphosphane is c1ccc(P(c2ccccc2)c2cccc3c2Oc2c(P(c4ccccc4)c4ccccc4)ccc4cccc-3c24)cc1.
What is the InChIKey of (6-diphenylphosphanyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-10-yl)-diphenylphosphane?
The InChIKey is SLADUUFDDWXCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28OP2/c1-5-16-30(17-6-1)42(31-18-7-2-8-19-31)36-26-14-25-35-34-24-13-15-29-27-28-37(40(38(29)34)41-39(35)36)43(32-20-9-3-10-21-32)33-22-11-4-12-23-33/h1-28H.
What are the key properties of (6-diphenylphosphanyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-10-yl)-diphenylphosphane?
(6-diphenylphosphanyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-10-yl)-diphenylphosphane has a molecular weight of 586.61 g/mol, XLogP of 8.13, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-diphenylphosphanyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-10-yl)-diphenylphosphane is sourced from PubChem (CID 11039191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).