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

C60H50OP2 — CID 58933193

IUPAC[11-diphenylphosphanyl-13-(trityloxymethyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2cc3c(COC(c4ccccc4)(c4ccccc4)c4ccccc4)cc2CCc2ccc(c(P(c4ccccc4)c4ccccc4)c2)CC3)cc1
InChIInChI=1S/C60H50OP2/c1-8-22-51(23-9-1)60(52-24-10-2-11-25-52,53-26-12-3-13-27-53)61-45-50-43-49-39-37-46-36-38-47(58(42-46)62(54-28-14-4-15-29-54)55-30-16-5-17-31-55)40-41-48(50)44-59(49)63(56-32-18-6-19-33-56)57-34-20-7-21-35-57/h1-36,38,42-44H,37,39-41,45H2
InChIKeyZTBNOVVREZCNPR-UHFFFAOYSA-N
MW849.01 g/mol
LogP11.60
Rot. Bonds12

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

[11-diphenylphosphanyl-13-(trityloxymethyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-diphenylphosphane (PubChem CID 58933193) has the molecular formula C60H50OP2 and a molecular weight of 849.01 g/mol. Its IUPAC name is [11-diphenylphosphanyl-13-(trityloxymethyl)-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-(trityloxymethyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-diphenylphosphane
PubChem CID58933193
Molecular FormulaC60H50OP2
Molecular Weight849.01 g/mol
Exact Mass848.33
IUPAC Name[11-diphenylphosphanyl-13-(trityloxymethyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2cc3c(COC(c4ccccc4)(c4ccccc4)c4ccccc4)cc2CCc2ccc(c(P(c4ccccc4)c4ccccc4)c2)CC3)cc1
InChIInChI=1S/C60H50OP2/c1-8-22-51(23-9-1)60(52-24-10-2-11-25-52,53-26-12-3-13-27-53)61-45-50-43-49-39-37-46-36-38-47(58(42-46)62(54-28-14-4-15-29-54)55-30-16-5-17-31-55)40-41-48(50)44-59(49)63(56-32-18-6-19-33-56)57-34-20-7-21-35-57/h1-36,38,42-44H,37,39-41,45H2
InChIKeyZTBNOVVREZCNPR-UHFFFAOYSA-N
XLogP11.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.01
LogP ≤ 511.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [11-diphenylphosphanyl-13-(trityloxymethyl)-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-(trityloxymethyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-diphenylphosphane (CID 58933193) is [11-diphenylphosphanyl-13-(trityloxymethyl)-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-(trityloxymethyl)-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-(trityloxymethyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-diphenylphosphane is c1ccc(P(c2ccccc2)c2cc3c(COC(c4ccccc4)(c4ccccc4)c4ccccc4)cc2CCc2ccc(c(P(c4ccccc4)c4ccccc4)c2)CC3)cc1.
What is the InChIKey of [11-diphenylphosphanyl-13-(trityloxymethyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-diphenylphosphane?
The InChIKey is ZTBNOVVREZCNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H50OP2/c1-8-22-51(23-9-1)60(52-24-10-2-11-25-52,53-26-12-3-13-27-53)61-45-50-43-49-39-37-46-36-38-47(58(42-46)62(54-28-14-4-15-29-54)55-30-16-5-17-31-55)40-41-48(50)44-59(49)63(56-32-18-6-19-33-56)57-34-20-7-21-35-57/h1-36,38,42-44H,37,39-41,45H2.
What are the key properties of [11-diphenylphosphanyl-13-(trityloxymethyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-diphenylphosphane?
[11-diphenylphosphanyl-13-(trityloxymethyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-diphenylphosphane has a molecular weight of 849.01 g/mol, XLogP of 11.60, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [11-diphenylphosphanyl-13-(trityloxymethyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-diphenylphosphane is sourced from PubChem (CID 58933193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).