[2-[[(1R)-2-diphenylphosphanylcyclopentyl]-pyrrolidin-1-ylmethyl]phenyl]-diphenylphosphane

C40H41NP2 — CID 59941445

IUPAC[2-[[(1R)-2-diphenylphosphanylcyclopentyl]-pyrrolidin-1-ylmethyl]phenyl]-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2ccccc2C([C@H]2CCCC2P(c2ccccc2)c2ccccc2)N2CCCC2)cc1
InChIInChI=1S/C40H41NP2/c1-5-18-32(19-6-1)42(33-20-7-2-8-21-33)38-28-14-13-26-36(38)40(41-30-15-16-31-41)37-27-17-29-39(37)43(34-22-9-3-10-23-34)35-24-11-4-12-25-35/h1-14,18-26,28,37,39-40H,15-17,27,29-31H2/t37-,39?,40?/m0/s1
InChIKeyFURIUHDKVXMKBX-PTGXSMPZSA-N
MW597.72 g/mol
LogP7.88
Rot. Bonds9

About [2-[[(1R)-2-diphenylphosphanylcyclopentyl]-pyrrolidin-1-ylmethyl]phenyl]-diphenylphosphane

[2-[[(1R)-2-diphenylphosphanylcyclopentyl]-pyrrolidin-1-ylmethyl]phenyl]-diphenylphosphane (PubChem CID 59941445) has the molecular formula C40H41NP2 and a molecular weight of 597.72 g/mol. Its IUPAC name is [2-[[(1R)-2-diphenylphosphanylcyclopentyl]-pyrrolidin-1-ylmethyl]phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-[[(1R)-2-diphenylphosphanylcyclopentyl]-pyrrolidin-1-ylmethyl]phenyl]-diphenylphosphane
PubChem CID59941445
Molecular FormulaC40H41NP2
Molecular Weight597.72 g/mol
Exact Mass597.27
IUPAC Name[2-[[(1R)-2-diphenylphosphanylcyclopentyl]-pyrrolidin-1-ylmethyl]phenyl]-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2ccccc2C([C@H]2CCCC2P(c2ccccc2)c2ccccc2)N2CCCC2)cc1
InChIInChI=1S/C40H41NP2/c1-5-18-32(19-6-1)42(33-20-7-2-8-21-33)38-28-14-13-26-36(38)40(41-30-15-16-31-41)37-27-17-29-39(37)43(34-22-9-3-10-23-34)35-24-11-4-12-25-35/h1-14,18-26,28,37,39-40H,15-17,27,29-31H2/t37-,39?,40?/m0/s1
InChIKeyFURIUHDKVXMKBX-PTGXSMPZSA-N
XLogP7.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.72
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[[(1R)-2-diphenylphosphanylcyclopentyl]-pyrrolidin-1-ylmethyl]phenyl]-diphenylphosphane?
The IUPAC name of [2-[[(1R)-2-diphenylphosphanylcyclopentyl]-pyrrolidin-1-ylmethyl]phenyl]-diphenylphosphane (CID 59941445) is [2-[[(1R)-2-diphenylphosphanylcyclopentyl]-pyrrolidin-1-ylmethyl]phenyl]-diphenylphosphane.
What is the SMILES notation for [2-[[(1R)-2-diphenylphosphanylcyclopentyl]-pyrrolidin-1-ylmethyl]phenyl]-diphenylphosphane?
The canonical SMILES for [2-[[(1R)-2-diphenylphosphanylcyclopentyl]-pyrrolidin-1-ylmethyl]phenyl]-diphenylphosphane is c1ccc(P(c2ccccc2)c2ccccc2C([C@H]2CCCC2P(c2ccccc2)c2ccccc2)N2CCCC2)cc1.
What is the InChIKey of [2-[[(1R)-2-diphenylphosphanylcyclopentyl]-pyrrolidin-1-ylmethyl]phenyl]-diphenylphosphane?
The InChIKey is FURIUHDKVXMKBX-PTGXSMPZSA-N. The full InChI is InChI=1S/C40H41NP2/c1-5-18-32(19-6-1)42(33-20-7-2-8-21-33)38-28-14-13-26-36(38)40(41-30-15-16-31-41)37-27-17-29-39(37)43(34-22-9-3-10-23-34)35-24-11-4-12-25-35/h1-14,18-26,28,37,39-40H,15-17,27,29-31H2/t37-,39?,40?/m0/s1.
What are the key properties of [2-[[(1R)-2-diphenylphosphanylcyclopentyl]-pyrrolidin-1-ylmethyl]phenyl]-diphenylphosphane?
[2-[[(1R)-2-diphenylphosphanylcyclopentyl]-pyrrolidin-1-ylmethyl]phenyl]-diphenylphosphane has a molecular weight of 597.72 g/mol, XLogP of 7.88, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1R)-2-diphenylphosphanylcyclopentyl]-pyrrolidin-1-ylmethyl]phenyl]-diphenylphosphane is sourced from PubChem (CID 59941445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).