[(1R,2R,4R,7R)-1-(diphenylphosphanylmethyl)-2,7-dimethyl-7-bicyclo[2.2.1]heptanyl]methyl-diphenylphosphane

C35H38P2 — CID 11005839

IUPAC[(1R,2R,4R,7R)-1-(diphenylphosphanylmethyl)-2,7-dimethyl-7-bicyclo[2.2.1]heptanyl]methyl-diphenylphosphane
SMILESC[C@@H]1C[C@H]2CC[C@]1(CP(c1ccccc1)c1ccccc1)[C@]2(C)CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H38P2/c1-28-25-29-23-24-35(28,27-37(32-19-11-5-12-20-32)33-21-13-6-14-22-33)34(29,2)26-36(30-15-7-3-8-16-30)31-17-9-4-10-18-31/h3-22,28-29H,23-27H2,1-2H3/t28-,29-,34-,35-/m1/s1
InChIKeyMJKWESPTLGSHLD-RVOFTLIFSA-N
MW520.64 g/mol
LogP7.69
Rot. Bonds8

About [(1R,2R,4R,7R)-1-(diphenylphosphanylmethyl)-2,7-dimethyl-7-bicyclo[2.2.1]heptanyl]methyl-diphenylphosphane

[(1R,2R,4R,7R)-1-(diphenylphosphanylmethyl)-2,7-dimethyl-7-bicyclo[2.2.1]heptanyl]methyl-diphenylphosphane (PubChem CID 11005839) has the molecular formula C35H38P2 and a molecular weight of 520.64 g/mol. Its IUPAC name is [(1R,2R,4R,7R)-1-(diphenylphosphanylmethyl)-2,7-dimethyl-7-bicyclo[2.2.1]heptanyl]methyl-diphenylphosphane.

Molecular Properties

Compound Name[(1R,2R,4R,7R)-1-(diphenylphosphanylmethyl)-2,7-dimethyl-7-bicyclo[2.2.1]heptanyl]methyl-diphenylphosphane
PubChem CID11005839
Molecular FormulaC35H38P2
Molecular Weight520.64 g/mol
Exact Mass520.24
IUPAC Name[(1R,2R,4R,7R)-1-(diphenylphosphanylmethyl)-2,7-dimethyl-7-bicyclo[2.2.1]heptanyl]methyl-diphenylphosphane
SMILESC[C@@H]1C[C@H]2CC[C@]1(CP(c1ccccc1)c1ccccc1)[C@]2(C)CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H38P2/c1-28-25-29-23-24-35(28,27-37(32-19-11-5-12-20-32)33-21-13-6-14-22-33)34(29,2)26-36(30-15-7-3-8-16-30)31-17-9-4-10-18-31/h3-22,28-29H,23-27H2,1-2H3/t28-,29-,34-,35-/m1/s1
InChIKeyMJKWESPTLGSHLD-RVOFTLIFSA-N
XLogP7.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.64
LogP ≤ 57.69
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 [(1R,2R,4R,7R)-1-(diphenylphosphanylmethyl)-2,7-dimethyl-7-bicyclo[2.2.1]heptanyl]methyl-diphenylphosphane?
The IUPAC name of [(1R,2R,4R,7R)-1-(diphenylphosphanylmethyl)-2,7-dimethyl-7-bicyclo[2.2.1]heptanyl]methyl-diphenylphosphane (CID 11005839) is [(1R,2R,4R,7R)-1-(diphenylphosphanylmethyl)-2,7-dimethyl-7-bicyclo[2.2.1]heptanyl]methyl-diphenylphosphane.
What is the SMILES notation for [(1R,2R,4R,7R)-1-(diphenylphosphanylmethyl)-2,7-dimethyl-7-bicyclo[2.2.1]heptanyl]methyl-diphenylphosphane?
The canonical SMILES for [(1R,2R,4R,7R)-1-(diphenylphosphanylmethyl)-2,7-dimethyl-7-bicyclo[2.2.1]heptanyl]methyl-diphenylphosphane is C[C@@H]1C[C@H]2CC[C@]1(CP(c1ccccc1)c1ccccc1)[C@]2(C)CP(c1ccccc1)c1ccccc1.
What is the InChIKey of [(1R,2R,4R,7R)-1-(diphenylphosphanylmethyl)-2,7-dimethyl-7-bicyclo[2.2.1]heptanyl]methyl-diphenylphosphane?
The InChIKey is MJKWESPTLGSHLD-RVOFTLIFSA-N. The full InChI is InChI=1S/C35H38P2/c1-28-25-29-23-24-35(28,27-37(32-19-11-5-12-20-32)33-21-13-6-14-22-33)34(29,2)26-36(30-15-7-3-8-16-30)31-17-9-4-10-18-31/h3-22,28-29H,23-27H2,1-2H3/t28-,29-,34-,35-/m1/s1.
What are the key properties of [(1R,2R,4R,7R)-1-(diphenylphosphanylmethyl)-2,7-dimethyl-7-bicyclo[2.2.1]heptanyl]methyl-diphenylphosphane?
[(1R,2R,4R,7R)-1-(diphenylphosphanylmethyl)-2,7-dimethyl-7-bicyclo[2.2.1]heptanyl]methyl-diphenylphosphane has a molecular weight of 520.64 g/mol, XLogP of 7.69, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,4R,7R)-1-(diphenylphosphanylmethyl)-2,7-dimethyl-7-bicyclo[2.2.1]heptanyl]methyl-diphenylphosphane is sourced from PubChem (CID 11005839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).