2-[3-(2-diphenylphosphanylpropan-2-yl)-2-bicyclo[2.2.1]heptanyl]propan-2-yl-diphenylphosphane

C37H42P2 — CID 23403234

IUPAC2-[3-(2-diphenylphosphanylpropan-2-yl)-2-bicyclo[2.2.1]heptanyl]propan-2-yl-diphenylphosphane
SMILESCC(C)(C1C2CCC(C2)C1C(C)(C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H42P2/c1-36(2,38(30-17-9-5-10-18-30)31-19-11-6-12-20-31)34-28-25-26-29(27-28)35(34)37(3,4)39(32-21-13-7-14-22-32)33-23-15-8-16-24-33/h5-24,28-29,34-35H,25-27H2,1-4H3
InChIKeyPDDDQPSJDUZOFP-UHFFFAOYSA-N
MW548.69 g/mol
LogP8.47
Rot. Bonds8

About 2-[3-(2-diphenylphosphanylpropan-2-yl)-2-bicyclo[2.2.1]heptanyl]propan-2-yl-diphenylphosphane

2-[3-(2-diphenylphosphanylpropan-2-yl)-2-bicyclo[2.2.1]heptanyl]propan-2-yl-diphenylphosphane (PubChem CID 23403234) has the molecular formula C37H42P2 and a molecular weight of 548.69 g/mol. Its IUPAC name is 2-[3-(2-diphenylphosphanylpropan-2-yl)-2-bicyclo[2.2.1]heptanyl]propan-2-yl-diphenylphosphane.

Molecular Properties

Compound Name2-[3-(2-diphenylphosphanylpropan-2-yl)-2-bicyclo[2.2.1]heptanyl]propan-2-yl-diphenylphosphane
PubChem CID23403234
Molecular FormulaC37H42P2
Molecular Weight548.69 g/mol
Exact Mass548.28
IUPAC Name2-[3-(2-diphenylphosphanylpropan-2-yl)-2-bicyclo[2.2.1]heptanyl]propan-2-yl-diphenylphosphane
SMILESCC(C)(C1C2CCC(C2)C1C(C)(C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H42P2/c1-36(2,38(30-17-9-5-10-18-30)31-19-11-6-12-20-31)34-28-25-26-29(27-28)35(34)37(3,4)39(32-21-13-7-14-22-32)33-23-15-8-16-24-33/h5-24,28-29,34-35H,25-27H2,1-4H3
InChIKeyPDDDQPSJDUZOFP-UHFFFAOYSA-N
XLogP8.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.69
LogP ≤ 58.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-[3-(2-diphenylphosphanylpropan-2-yl)-2-bicyclo[2.2.1]heptanyl]propan-2-yl-diphenylphosphane with MolForge

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Related Compounds

2-[2-(2-diphenylphosphanylpropan-2-yl)cyclopropyl]propan-2-yl-diphenylphosphane
CID 23403229
2-[(2S,3S)-3-(2-diphenylphosphanylpropan-2-yl)-2-bicyclo[2.2.1]heptanyl]propan-2-yl-diphenylphosphane;2-[(1S,2S)-2-(2-diphenylphosphanylpropan-2-yl)cyclohexyl]propan-2-yl-diphenylphosphane;bis(2-[(1S,2S)-2-(2-diphenylphosphanylpropan-2-yl)cyclopentyl]propan-2-yl-diphenylphosphane);2-[(1S,2S)-2-(2-diphenylphosphanylpropan-2-yl)cyclopropyl]propan-2-yl-diphenylphosphane;2-[(3R,4R)-4-(2-diphenylphosphanylpropan-2-yl)oxolan-3-yl]propan-2-yl-diphenylphosphane;trans-(4R,5R)-4,5-bis(2-diphenylphosphanylpropan-2-yl)cyclopentane-1,3-dione
CID 157056379
[(1R,2R,3S,4S)-3-(diphenylphosphanylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl-diphenylphosphane
CID 13296398
1-diphenylphosphanylethane-1,1-diol
CID 151023834
bicyclo[2.2.0]hexane;tert-butylbenzene
CID 174393348
diphenyl(4-tricyclo[5.2.1.02,6]decanyl)phosphane
CID 117070680
[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-diphenylphosphane
CID 102055643
[(1R,2R,3R,4S)-3-[hydroxy(diphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]-diphenylmethanol;bis(propan-2-ol);titanium
CID 11146573
5-tert-butylbicyclo[2.1.1]hexane
CID 140587712
3-methylpentan-3-yl(diphenyl)phosphane
CID 23414394
2,2-dimethylpropane;triphenylphosphane
CID 143924519
tert-butyl-phenyl-pyridin-3-ylphosphane
CID 25185996

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-diphenylphosphanylpropan-2-yl)-2-bicyclo[2.2.1]heptanyl]propan-2-yl-diphenylphosphane?
The IUPAC name of 2-[3-(2-diphenylphosphanylpropan-2-yl)-2-bicyclo[2.2.1]heptanyl]propan-2-yl-diphenylphosphane (CID 23403234) is 2-[3-(2-diphenylphosphanylpropan-2-yl)-2-bicyclo[2.2.1]heptanyl]propan-2-yl-diphenylphosphane.
What is the SMILES notation for 2-[3-(2-diphenylphosphanylpropan-2-yl)-2-bicyclo[2.2.1]heptanyl]propan-2-yl-diphenylphosphane?
The canonical SMILES for 2-[3-(2-diphenylphosphanylpropan-2-yl)-2-bicyclo[2.2.1]heptanyl]propan-2-yl-diphenylphosphane is CC(C)(C1C2CCC(C2)C1C(C)(C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[3-(2-diphenylphosphanylpropan-2-yl)-2-bicyclo[2.2.1]heptanyl]propan-2-yl-diphenylphosphane?
The InChIKey is PDDDQPSJDUZOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H42P2/c1-36(2,38(30-17-9-5-10-18-30)31-19-11-6-12-20-31)34-28-25-26-29(27-28)35(34)37(3,4)39(32-21-13-7-14-22-32)33-23-15-8-16-24-33/h5-24,28-29,34-35H,25-27H2,1-4H3.
What are the key properties of 2-[3-(2-diphenylphosphanylpropan-2-yl)-2-bicyclo[2.2.1]heptanyl]propan-2-yl-diphenylphosphane?
2-[3-(2-diphenylphosphanylpropan-2-yl)-2-bicyclo[2.2.1]heptanyl]propan-2-yl-diphenylphosphane has a molecular weight of 548.69 g/mol, XLogP of 8.47, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-diphenylphosphanylpropan-2-yl)-2-bicyclo[2.2.1]heptanyl]propan-2-yl-diphenylphosphane is sourced from PubChem (CID 23403234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).