[11-diphenylphosphanyl-13-[(2-methylpropan-2-yl)oxymethyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-diphenylphosphane

C45H44OP2 — CID 59762672

IUPAC[11-diphenylphosphanyl-13-[(2-methylpropan-2-yl)oxymethyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-diphenylphosphane
SMILESCC(C)(C)OCc1cc2c(P(c3ccccc3)c3ccccc3)cc1CCc1ccc(cc1P(c1ccccc1)c1ccccc1)CC2
InChIInChI=1S/C45H44OP2/c1-45(2,3)46-33-38-31-37-27-25-34-24-26-35(43(30-34)47(39-16-8-4-9-17-39)40-18-10-5-11-19-40)28-29-36(38)32-44(37)48(41-20-12-6-13-21-41)42-22-14-7-15-23-42/h4-24,26,30-32H,25,27-29,33H2,1-3H3
InChIKeyKFLGUZDPYZERFL-UHFFFAOYSA-N
MW662.79 g/mol
LogP8.40
Rot. Bonds8

About [11-diphenylphosphanyl-13-[(2-methylpropan-2-yl)oxymethyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-diphenylphosphane

[11-diphenylphosphanyl-13-[(2-methylpropan-2-yl)oxymethyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-diphenylphosphane (PubChem CID 59762672) has the molecular formula C45H44OP2 and a molecular weight of 662.79 g/mol. Its IUPAC name is [11-diphenylphosphanyl-13-[(2-methylpropan-2-yl)oxymethyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-diphenylphosphane.

Molecular Properties

Compound Name[11-diphenylphosphanyl-13-[(2-methylpropan-2-yl)oxymethyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-diphenylphosphane
PubChem CID59762672
Molecular FormulaC45H44OP2
Molecular Weight662.79 g/mol
Exact Mass662.29
IUPAC Name[11-diphenylphosphanyl-13-[(2-methylpropan-2-yl)oxymethyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-diphenylphosphane
SMILESCC(C)(C)OCc1cc2c(P(c3ccccc3)c3ccccc3)cc1CCc1ccc(cc1P(c1ccccc1)c1ccccc1)CC2
InChIInChI=1S/C45H44OP2/c1-45(2,3)46-33-38-31-37-27-25-34-24-26-35(43(30-34)47(39-16-8-4-9-17-39)40-18-10-5-11-19-40)28-29-36(38)32-44(37)48(41-20-12-6-13-21-41)42-22-14-7-15-23-42/h4-24,26,30-32H,25,27-29,33H2,1-3H3
InChIKeyKFLGUZDPYZERFL-UHFFFAOYSA-N
XLogP8.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.79
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [11-diphenylphosphanyl-13-[(2-methylpropan-2-yl)oxymethyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-diphenylphosphane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [11-diphenylphosphanyl-13-[(2-methylpropan-2-yl)oxymethyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-diphenylphosphane?
The IUPAC name of [11-diphenylphosphanyl-13-[(2-methylpropan-2-yl)oxymethyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-diphenylphosphane (CID 59762672) is [11-diphenylphosphanyl-13-[(2-methylpropan-2-yl)oxymethyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-diphenylphosphane.
What is the SMILES notation for [11-diphenylphosphanyl-13-[(2-methylpropan-2-yl)oxymethyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-diphenylphosphane?
The canonical SMILES for [11-diphenylphosphanyl-13-[(2-methylpropan-2-yl)oxymethyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-diphenylphosphane is CC(C)(C)OCc1cc2c(P(c3ccccc3)c3ccccc3)cc1CCc1ccc(cc1P(c1ccccc1)c1ccccc1)CC2.
What is the InChIKey of [11-diphenylphosphanyl-13-[(2-methylpropan-2-yl)oxymethyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-diphenylphosphane?
The InChIKey is KFLGUZDPYZERFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H44OP2/c1-45(2,3)46-33-38-31-37-27-25-34-24-26-35(43(30-34)47(39-16-8-4-9-17-39)40-18-10-5-11-19-40)28-29-36(38)32-44(37)48(41-20-12-6-13-21-41)42-22-14-7-15-23-42/h4-24,26,30-32H,25,27-29,33H2,1-3H3.
What are the key properties of [11-diphenylphosphanyl-13-[(2-methylpropan-2-yl)oxymethyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-diphenylphosphane?
[11-diphenylphosphanyl-13-[(2-methylpropan-2-yl)oxymethyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-diphenylphosphane has a molecular weight of 662.79 g/mol, XLogP of 8.40, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [11-diphenylphosphanyl-13-[(2-methylpropan-2-yl)oxymethyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-diphenylphosphane is sourced from PubChem (CID 59762672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).