[2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-diphenylphosphane

C29H29NP2 — CID 53427371

IUPAC[2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-diphenylphosphane
SMILESc1ccc(P(CC2CCCN2P(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H29NP2/c1-5-15-26(16-6-1)31(27-17-7-2-8-18-27)24-25-14-13-23-30(25)32(28-19-9-3-10-20-28)29-21-11-4-12-22-29/h1-12,15-22,25H,13-14,23-24H2
InChIKeyQOXHILHNCWCKHN-UHFFFAOYSA-N
MW453.51 g/mol
LogP5.63
Rot. Bonds7

About [2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-diphenylphosphane

[2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-diphenylphosphane (PubChem CID 53427371) has the molecular formula C29H29NP2 and a molecular weight of 453.51 g/mol. Its IUPAC name is [2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-diphenylphosphane.

Molecular Properties

Compound Name[2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-diphenylphosphane
PubChem CID53427371
Molecular FormulaC29H29NP2
Molecular Weight453.51 g/mol
Exact Mass453.18
IUPAC Name[2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-diphenylphosphane
SMILESc1ccc(P(CC2CCCN2P(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H29NP2/c1-5-15-26(16-6-1)31(27-17-7-2-8-18-27)24-25-14-13-23-30(25)32(28-19-9-3-10-20-28)29-21-11-4-12-22-29/h1-12,15-22,25H,13-14,23-24H2
InChIKeyQOXHILHNCWCKHN-UHFFFAOYSA-N
XLogP5.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.51
LogP ≤ 55.63
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-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-diphenylphosphane?
The IUPAC name of [2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-diphenylphosphane (CID 53427371) is [2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-diphenylphosphane.
What is the SMILES notation for [2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-diphenylphosphane?
The canonical SMILES for [2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-diphenylphosphane is c1ccc(P(CC2CCCN2P(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-diphenylphosphane?
The InChIKey is QOXHILHNCWCKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29NP2/c1-5-15-26(16-6-1)31(27-17-7-2-8-18-27)24-25-14-13-23-30(25)32(28-19-9-3-10-20-28)29-21-11-4-12-22-29/h1-12,15-22,25H,13-14,23-24H2.
What are the key properties of [2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-diphenylphosphane?
[2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-diphenylphosphane has a molecular weight of 453.51 g/mol, XLogP of 5.63, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-diphenylphosphane is sourced from PubChem (CID 53427371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).