bis(2-methylphenyl)-[[2-[2-(phosphanylmethyl)-2-adamantyl]-5-trimethylsilylphenyl]methyl]phosphane

C35H46P2Si — CID 87241751

IUPACbis(2-methylphenyl)-[[2-[2-(phosphanylmethyl)-2-adamantyl]-5-trimethylsilylphenyl]methyl]phosphane
SMILESCc1ccccc1P(Cc1cc([Si](C)(C)C)ccc1C1(CP)C2CC3CC(C2)CC1C3)c1ccccc1C
InChIInChI=1S/C35H46P2Si/c1-24-10-6-8-12-33(24)37(34-13-9-7-11-25(34)2)22-28-21-31(38(3,4)5)14-15-32(28)35(23-36)29-17-26-16-27(19-29)20-30(35)18-26/h6-15,21,26-27,29-30H,16-20,22-23,36H2,1-5H3
InChIKeyVPGDJUOCXAPADJ-UHFFFAOYSA-N
MW556.79 g/mol
LogP8.05
Rot. Bonds7

About bis(2-methylphenyl)-[[2-[2-(phosphanylmethyl)-2-adamantyl]-5-trimethylsilylphenyl]methyl]phosphane

bis(2-methylphenyl)-[[2-[2-(phosphanylmethyl)-2-adamantyl]-5-trimethylsilylphenyl]methyl]phosphane (PubChem CID 87241751) has the molecular formula C35H46P2Si and a molecular weight of 556.79 g/mol. Its IUPAC name is bis(2-methylphenyl)-[[2-[2-(phosphanylmethyl)-2-adamantyl]-5-trimethylsilylphenyl]methyl]phosphane.

Molecular Properties

Compound Namebis(2-methylphenyl)-[[2-[2-(phosphanylmethyl)-2-adamantyl]-5-trimethylsilylphenyl]methyl]phosphane
PubChem CID87241751
Molecular FormulaC35H46P2Si
Molecular Weight556.79 g/mol
Exact Mass556.28
IUPAC Namebis(2-methylphenyl)-[[2-[2-(phosphanylmethyl)-2-adamantyl]-5-trimethylsilylphenyl]methyl]phosphane
SMILESCc1ccccc1P(Cc1cc([Si](C)(C)C)ccc1C1(CP)C2CC3CC(C2)CC1C3)c1ccccc1C
InChIInChI=1S/C35H46P2Si/c1-24-10-6-8-12-33(24)37(34-13-9-7-11-25(34)2)22-28-21-31(38(3,4)5)14-15-32(28)35(23-36)29-17-26-16-27(19-29)20-30(35)18-26/h6-15,21,26-27,29-30H,16-20,22-23,36H2,1-5H3
InChIKeyVPGDJUOCXAPADJ-UHFFFAOYSA-N
XLogP8.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.79
LogP ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[3,4-diphenyl-2-[2-(phosphanylmethyl)-2-adamantyl]cyclopenta-2,4-dien-1-yl]methyl-bis(2-methylphenyl)phosphane
CID 176529660
bis(2-methylphenyl)-[[5-(2-phenylpropan-2-yl)-2-[2-(phosphanylmethyl)-1-adamantyl]phenyl]methyl]phosphane
CID 87241816
bis(1-adamantyl)-[[2-[bis(2-methylphenyl)phosphanylmethyl]-4,5-ditert-butylphenyl]methyl]phosphane
CID 87315189
[5-[2-(phosphanylmethyl)-2-adamantyl]-3,4-bis(trimethylsilyl)cyclopenta-1,4-dien-1-yl]methyl-dipyridin-2-ylphosphane
CID 176525869
2,2-bis(2-methylphenyl)adamantane
CID 173019574
2-(2-methylphenyl)adamantan-2-ol
CID 14198294
[1-[2-[bis(2-methylphenyl)phosphanylmethyl]naphthalen-1-yl]naphthalen-2-yl]methyl-dicyclohexylphosphane
CID 23221330
trimethyl-[4-[3-[10-(6-spiro[adamantane-2,9'-fluorene]-2'-ylnaphthalen-2-yl)anthracen-9-yl]phenyl]phenyl]silane
CID 164819102
ditert-butyl-[2-(dipyridin-2-ylphosphanylmethyl)-5-trimethylsilylphenyl]phosphane
CID 87343468
bis(1-adamantyl)-[[2-[1,3,5,7-tetramethyl-8-(phosphanylmethyl)-2,4,6-trioxatricyclo[3.3.1.13,7]decan-8-yl]phenyl]methyl]phosphane
CID 87461679
bis(2-methylphenyl)phosphinite
CID 135999862
bis(2-adamantyl)-[2-[bis(2-adamantyl)phosphanylmethyl]phenyl]phosphane
CID 87464174

Frequently Asked Questions

What is the IUPAC name of bis(2-methylphenyl)-[[2-[2-(phosphanylmethyl)-2-adamantyl]-5-trimethylsilylphenyl]methyl]phosphane?
The IUPAC name of bis(2-methylphenyl)-[[2-[2-(phosphanylmethyl)-2-adamantyl]-5-trimethylsilylphenyl]methyl]phosphane (CID 87241751) is bis(2-methylphenyl)-[[2-[2-(phosphanylmethyl)-2-adamantyl]-5-trimethylsilylphenyl]methyl]phosphane.
What is the SMILES notation for bis(2-methylphenyl)-[[2-[2-(phosphanylmethyl)-2-adamantyl]-5-trimethylsilylphenyl]methyl]phosphane?
The canonical SMILES for bis(2-methylphenyl)-[[2-[2-(phosphanylmethyl)-2-adamantyl]-5-trimethylsilylphenyl]methyl]phosphane is Cc1ccccc1P(Cc1cc([Si](C)(C)C)ccc1C1(CP)C2CC3CC(C2)CC1C3)c1ccccc1C.
What is the InChIKey of bis(2-methylphenyl)-[[2-[2-(phosphanylmethyl)-2-adamantyl]-5-trimethylsilylphenyl]methyl]phosphane?
The InChIKey is VPGDJUOCXAPADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H46P2Si/c1-24-10-6-8-12-33(24)37(34-13-9-7-11-25(34)2)22-28-21-31(38(3,4)5)14-15-32(28)35(23-36)29-17-26-16-27(19-29)20-30(35)18-26/h6-15,21,26-27,29-30H,16-20,22-23,36H2,1-5H3.
What are the key properties of bis(2-methylphenyl)-[[2-[2-(phosphanylmethyl)-2-adamantyl]-5-trimethylsilylphenyl]methyl]phosphane?
bis(2-methylphenyl)-[[2-[2-(phosphanylmethyl)-2-adamantyl]-5-trimethylsilylphenyl]methyl]phosphane has a molecular weight of 556.79 g/mol, XLogP of 8.05, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylphenyl)-[[2-[2-(phosphanylmethyl)-2-adamantyl]-5-trimethylsilylphenyl]methyl]phosphane is sourced from PubChem (CID 87241751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).