[(1R,2S,4R)-7-diphenylphosphanyl-7-azabicyclo[2.2.1]hept-5-en-2-yl]-diphenylphosphane

C30H27NP2 — CID 102464791

IUPAC[(1R,2S,4R)-7-diphenylphosphanyl-7-azabicyclo[2.2.1]hept-5-en-2-yl]-diphenylphosphane
SMILESC1=C[C@H]2C[C@H](P(c3ccccc3)c3ccccc3)[C@@H]1N2P(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H27NP2/c1-5-13-25(14-6-1)32(26-15-7-2-8-16-26)30-23-24-21-22-29(30)31(24)33(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-22,24,29-30H,23H2/t24-,29+,30-/m0/s1
InChIKeyIASWIWHQPIMCSU-NSQMQTOTSA-N
MW463.50 g/mol
LogP5.55
Rot. Bonds6

About [(1R,2S,4R)-7-diphenylphosphanyl-7-azabicyclo[2.2.1]hept-5-en-2-yl]-diphenylphosphane

[(1R,2S,4R)-7-diphenylphosphanyl-7-azabicyclo[2.2.1]hept-5-en-2-yl]-diphenylphosphane (PubChem CID 102464791) has the molecular formula C30H27NP2 and a molecular weight of 463.50 g/mol. Its IUPAC name is [(1R,2S,4R)-7-diphenylphosphanyl-7-azabicyclo[2.2.1]hept-5-en-2-yl]-diphenylphosphane.

Molecular Properties

Compound Name[(1R,2S,4R)-7-diphenylphosphanyl-7-azabicyclo[2.2.1]hept-5-en-2-yl]-diphenylphosphane
PubChem CID102464791
Molecular FormulaC30H27NP2
Molecular Weight463.50 g/mol
Exact Mass463.16
IUPAC Name[(1R,2S,4R)-7-diphenylphosphanyl-7-azabicyclo[2.2.1]hept-5-en-2-yl]-diphenylphosphane
SMILESC1=C[C@H]2C[C@H](P(c3ccccc3)c3ccccc3)[C@@H]1N2P(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H27NP2/c1-5-13-25(14-6-1)32(26-15-7-2-8-16-26)30-23-24-21-22-29(30)31(24)33(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-22,24,29-30H,23H2/t24-,29+,30-/m0/s1
InChIKeyIASWIWHQPIMCSU-NSQMQTOTSA-N
XLogP5.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.50
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S,4R)-7-diphenylphosphanyl-7-azabicyclo[2.2.1]hept-5-en-2-yl]-diphenylphosphane?
The IUPAC name of [(1R,2S,4R)-7-diphenylphosphanyl-7-azabicyclo[2.2.1]hept-5-en-2-yl]-diphenylphosphane (CID 102464791) is [(1R,2S,4R)-7-diphenylphosphanyl-7-azabicyclo[2.2.1]hept-5-en-2-yl]-diphenylphosphane.
What is the SMILES notation for [(1R,2S,4R)-7-diphenylphosphanyl-7-azabicyclo[2.2.1]hept-5-en-2-yl]-diphenylphosphane?
The canonical SMILES for [(1R,2S,4R)-7-diphenylphosphanyl-7-azabicyclo[2.2.1]hept-5-en-2-yl]-diphenylphosphane is C1=C[C@H]2C[C@H](P(c3ccccc3)c3ccccc3)[C@@H]1N2P(c1ccccc1)c1ccccc1.
What is the InChIKey of [(1R,2S,4R)-7-diphenylphosphanyl-7-azabicyclo[2.2.1]hept-5-en-2-yl]-diphenylphosphane?
The InChIKey is IASWIWHQPIMCSU-NSQMQTOTSA-N. The full InChI is InChI=1S/C30H27NP2/c1-5-13-25(14-6-1)32(26-15-7-2-8-16-26)30-23-24-21-22-29(30)31(24)33(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-22,24,29-30H,23H2/t24-,29+,30-/m0/s1.
What are the key properties of [(1R,2S,4R)-7-diphenylphosphanyl-7-azabicyclo[2.2.1]hept-5-en-2-yl]-diphenylphosphane?
[(1R,2S,4R)-7-diphenylphosphanyl-7-azabicyclo[2.2.1]hept-5-en-2-yl]-diphenylphosphane has a molecular weight of 463.50 g/mol, XLogP of 5.55, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,4R)-7-diphenylphosphanyl-7-azabicyclo[2.2.1]hept-5-en-2-yl]-diphenylphosphane is sourced from PubChem (CID 102464791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).