bis(1-bicyclo[2.2.1]heptanyl)phosphanyl-tert-butyl-diphenylphosphanium

C30H41P2+ — CID 87977173

IUPACbis(1-bicyclo[2.2.1]heptanyl)phosphanyl-tert-butyl-diphenylphosphanium
SMILESCC(C)(C)[P+](c1ccccc1)(c1ccccc1)P(C12CCC(CC1)C2)C12CCC(CC1)C2
InChIInChI=1S/C30H41P2/c1-28(2,3)32(26-10-6-4-7-11-26,27-12-8-5-9-13-27)31(29-18-14-24(22-29)15-19-29)30-20-16-25(23-30)17-21-30/h4-13,24-25H,14-23H2,1-3H3/q+1
InChIKeyPVJJDSSACMCOBK-UHFFFAOYSA-N
MW463.61 g/mol
LogP8.52
Rot. Bonds5

About bis(1-bicyclo[2.2.1]heptanyl)phosphanyl-tert-butyl-diphenylphosphanium

bis(1-bicyclo[2.2.1]heptanyl)phosphanyl-tert-butyl-diphenylphosphanium (PubChem CID 87977173) has the molecular formula C30H41P2+ and a molecular weight of 463.61 g/mol. Its IUPAC name is bis(1-bicyclo[2.2.1]heptanyl)phosphanyl-tert-butyl-diphenylphosphanium.

Molecular Properties

Compound Namebis(1-bicyclo[2.2.1]heptanyl)phosphanyl-tert-butyl-diphenylphosphanium
PubChem CID87977173
Molecular FormulaC30H41P2+
Molecular Weight463.61 g/mol
Exact Mass463.27
IUPAC Namebis(1-bicyclo[2.2.1]heptanyl)phosphanyl-tert-butyl-diphenylphosphanium
SMILESCC(C)(C)[P+](c1ccccc1)(c1ccccc1)P(C12CCC(CC1)C2)C12CCC(CC1)C2
InChIInChI=1S/C30H41P2/c1-28(2,3)32(26-10-6-4-7-11-26,27-12-8-5-9-13-27)31(29-18-14-24(22-29)15-19-29)30-20-16-25(23-30)17-21-30/h4-13,24-25H,14-23H2,1-3H3/q+1
InChIKeyPVJJDSSACMCOBK-UHFFFAOYSA-N
XLogP8.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.61
LogP ≤ 58.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(1-bicyclo[2.2.1]heptanyl)phosphanyl-tert-butyl-diphenylphosphanium?
The IUPAC name of bis(1-bicyclo[2.2.1]heptanyl)phosphanyl-tert-butyl-diphenylphosphanium (CID 87977173) is bis(1-bicyclo[2.2.1]heptanyl)phosphanyl-tert-butyl-diphenylphosphanium.
What is the SMILES notation for bis(1-bicyclo[2.2.1]heptanyl)phosphanyl-tert-butyl-diphenylphosphanium?
The canonical SMILES for bis(1-bicyclo[2.2.1]heptanyl)phosphanyl-tert-butyl-diphenylphosphanium is CC(C)(C)[P+](c1ccccc1)(c1ccccc1)P(C12CCC(CC1)C2)C12CCC(CC1)C2.
What is the InChIKey of bis(1-bicyclo[2.2.1]heptanyl)phosphanyl-tert-butyl-diphenylphosphanium?
The InChIKey is PVJJDSSACMCOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41P2/c1-28(2,3)32(26-10-6-4-7-11-26,27-12-8-5-9-13-27)31(29-18-14-24(22-29)15-19-29)30-20-16-25(23-30)17-21-30/h4-13,24-25H,14-23H2,1-3H3/q+1.
What are the key properties of bis(1-bicyclo[2.2.1]heptanyl)phosphanyl-tert-butyl-diphenylphosphanium?
bis(1-bicyclo[2.2.1]heptanyl)phosphanyl-tert-butyl-diphenylphosphanium has a molecular weight of 463.61 g/mol, XLogP of 8.52, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-bicyclo[2.2.1]heptanyl)phosphanyl-tert-butyl-diphenylphosphanium is sourced from PubChem (CID 87977173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).