[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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Related Compounds

[2-(1-diphenylphosphanylpyrrolidin-2-yl)pyrrolidin-1-yl]-diphenylphosphane
CID 85046658
benzene;chlororuthenium(1+);[(2S)-2-(diphenylphosphanyloxymethyl)pyrrolidin-1-yl]-diphenylphosphane;chloride
CID 11115242
1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]propan-1-one
CID 15534450
CID 11386099
CID 11386099
(2R)-1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-N,N-dimethyl-3-phenylpropan-2-amine
CID 101255158
[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-(2-propylsulfanylphenyl)methanone
CID 100934790
[(1R,2R,3S,4S)-3-(diphenylphosphanylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl-diphenylphosphane
CID 13296398
[(2S)-2-benzylaziridin-1-yl]-diphenylphosphane
CID 10881653
[3-(diphenylphosphanylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]methyl-diphenylphosphane
CID 57017880
(5S)-5-(diphenylphosphanylmethyl)-1,3,3-trimethylpyrrolidin-2-one
CID 102002966
5-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-N-(trifluoromethylsulfonyl)pentanamide
CID 102199811
diphenyl-[[(2S)-piperidin-2-yl]methyl]phosphane
CID 101469589

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).