[13-[tert-butyl(dimethyl)silyl]oxy-11-diphenylphosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-diphenylphosphane

C46H48OP2Si — CID 58729439

IUPAC[13-[tert-butyl(dimethyl)silyl]oxy-11-diphenylphosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-diphenylphosphane
SMILESCC(C)(C)[Si](C)(C)Oc1cc2c(P(c3ccccc3)c3ccccc3)cc1CCc1ccc(cc1P(c1ccccc1)c1ccccc1)CC2
InChIInChI=1S/C46H48OP2Si/c1-46(2,3)50(4,5)47-43-33-38-29-27-35-26-28-36(44(32-35)48(39-18-10-6-11-19-39)40-20-12-7-13-21-40)30-31-37(43)34-45(38)49(41-22-14-8-15-23-41)42-24-16-9-17-25-42/h6-26,28,32-34H,27,29-31H2,1-5H3
InChIKeyWNBPTAGYIFEORV-UHFFFAOYSA-N
MW706.92 g/mol
LogP9.47
Rot. Bonds8

About [13-[tert-butyl(dimethyl)silyl]oxy-11-diphenylphosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-diphenylphosphane

[13-[tert-butyl(dimethyl)silyl]oxy-11-diphenylphosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-diphenylphosphane (PubChem CID 58729439) has the molecular formula C46H48OP2Si and a molecular weight of 706.92 g/mol. Its IUPAC name is [13-[tert-butyl(dimethyl)silyl]oxy-11-diphenylphosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-diphenylphosphane.

Molecular Properties

Compound Name[13-[tert-butyl(dimethyl)silyl]oxy-11-diphenylphosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-diphenylphosphane
PubChem CID58729439
Molecular FormulaC46H48OP2Si
Molecular Weight706.92 g/mol
Exact Mass706.29
IUPAC Name[13-[tert-butyl(dimethyl)silyl]oxy-11-diphenylphosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-diphenylphosphane
SMILESCC(C)(C)[Si](C)(C)Oc1cc2c(P(c3ccccc3)c3ccccc3)cc1CCc1ccc(cc1P(c1ccccc1)c1ccccc1)CC2
InChIInChI=1S/C46H48OP2Si/c1-46(2,3)50(4,5)47-43-33-38-29-27-35-26-28-36(44(32-35)48(39-18-10-6-11-19-39)40-20-12-7-13-21-40)30-31-37(43)34-45(38)49(41-22-14-8-15-23-41)42-24-16-9-17-25-42/h6-26,28,32-34H,27,29-31H2,1-5H3
InChIKeyWNBPTAGYIFEORV-UHFFFAOYSA-N
XLogP9.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.92
LogP ≤ 59.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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tert-butyl-dimethyl-[4,5,8-tris[[tert-butyl(dimethyl)silyl]oxy]naphthalen-1-yl]oxysilane
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[2-[[5,11,17,23,29,35-hexatert-butyl-40-[(2-diphenylphosphanylphenyl)methoxy]-38,39,41,42-tetramethoxy-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9(41),10,12,15,17,19(40),21,23,25(39),27(38),28,30,33(37),34-octadecaenyl]oxymethyl]phenyl]-diphenylphosphane
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2,2-dimethylpropane;triphenylphosphane
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Frequently Asked Questions

What is the IUPAC name of [13-[tert-butyl(dimethyl)silyl]oxy-11-diphenylphosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-diphenylphosphane?
The IUPAC name of [13-[tert-butyl(dimethyl)silyl]oxy-11-diphenylphosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-diphenylphosphane (CID 58729439) is [13-[tert-butyl(dimethyl)silyl]oxy-11-diphenylphosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-diphenylphosphane.
What is the SMILES notation for [13-[tert-butyl(dimethyl)silyl]oxy-11-diphenylphosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-diphenylphosphane?
The canonical SMILES for [13-[tert-butyl(dimethyl)silyl]oxy-11-diphenylphosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-diphenylphosphane is CC(C)(C)[Si](C)(C)Oc1cc2c(P(c3ccccc3)c3ccccc3)cc1CCc1ccc(cc1P(c1ccccc1)c1ccccc1)CC2.
What is the InChIKey of [13-[tert-butyl(dimethyl)silyl]oxy-11-diphenylphosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-diphenylphosphane?
The InChIKey is WNBPTAGYIFEORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H48OP2Si/c1-46(2,3)50(4,5)47-43-33-38-29-27-35-26-28-36(44(32-35)48(39-18-10-6-11-19-39)40-20-12-7-13-21-40)30-31-37(43)34-45(38)49(41-22-14-8-15-23-41)42-24-16-9-17-25-42/h6-26,28,32-34H,27,29-31H2,1-5H3.
What are the key properties of [13-[tert-butyl(dimethyl)silyl]oxy-11-diphenylphosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-diphenylphosphane?
[13-[tert-butyl(dimethyl)silyl]oxy-11-diphenylphosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-diphenylphosphane has a molecular weight of 706.92 g/mol, XLogP of 9.47, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [13-[tert-butyl(dimethyl)silyl]oxy-11-diphenylphosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-diphenylphosphane is sourced from PubChem (CID 58729439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).