diphenyl(pyrrolidin-1-yl)phosphane;phenyl(dipyrrolidin-1-yl)phosphane

C30H39N3P2 — CID 88816907

IUPACdiphenyl(pyrrolidin-1-yl)phosphane;phenyl(dipyrrolidin-1-yl)phosphane
SMILESc1ccc(P(N2CCCC2)N2CCCC2)cc1.c1ccc(P(c2ccccc2)N2CCCC2)cc1
InChIInChI=1S/C16H18NP.C14H21N2P/c1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;1-2-8-14(9-3-1)17(15-10-4-5-11-15)16-12-6-7-13-16/h1-6,9-12H,7-8,13-14H2;1-3,8-9H,4-7,10-13H2
InChIKeyLTUIIHACTVPNFK-UHFFFAOYSA-N
MW503.61 g/mol
LogP5.95
Rot. Bonds6

About diphenyl(pyrrolidin-1-yl)phosphane;phenyl(dipyrrolidin-1-yl)phosphane

diphenyl(pyrrolidin-1-yl)phosphane;phenyl(dipyrrolidin-1-yl)phosphane (PubChem CID 88816907) has the molecular formula C30H39N3P2 and a molecular weight of 503.61 g/mol. Its IUPAC name is diphenyl(pyrrolidin-1-yl)phosphane;phenyl(dipyrrolidin-1-yl)phosphane.

Molecular Properties

Compound Namediphenyl(pyrrolidin-1-yl)phosphane;phenyl(dipyrrolidin-1-yl)phosphane
PubChem CID88816907
Molecular FormulaC30H39N3P2
Molecular Weight503.61 g/mol
Exact Mass503.26
IUPAC Namediphenyl(pyrrolidin-1-yl)phosphane;phenyl(dipyrrolidin-1-yl)phosphane
SMILESc1ccc(P(N2CCCC2)N2CCCC2)cc1.c1ccc(P(c2ccccc2)N2CCCC2)cc1
InChIInChI=1S/C16H18NP.C14H21N2P/c1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;1-2-8-14(9-3-1)17(15-10-4-5-11-15)16-12-6-7-13-16/h1-6,9-12H,7-8,13-14H2;1-3,8-9H,4-7,10-13H2
InChIKeyLTUIIHACTVPNFK-UHFFFAOYSA-N
XLogP5.95
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.61
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dichloropalladium;bis(diphenyl(piperidin-1-yl)phosphane)
CID 88813042
[2-(1-diphenylphosphanylpyrrolidin-2-yl)pyrrolidin-1-yl]-diphenylphosphane
CID 85046658
(4-hexylpiperidin-1-yl)-diphenylphosphane
CID 59090045
1-adamantyl-phenyl-piperidin-1-ylphosphane
CID 174986647
4,5-dihydroimidazol-1-yl(diphenyl)phosphane
CID 91105862
[2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-diphenylphosphane
CID 53427371
N-butyl-N-[phenyl(pyrrolidin-1-yl)phosphanyl]butan-1-amine
CID 134885744
diphenyl-[phenyl(pyrrolidin-1-yl)methyl]phosphane
CID 175581727
[(1R,2R)-2-diphenylphosphanylcyclohexyl]-diphenylphosphane
CID 59800266
(2,5-dimethylpyrrol-1-yl)-diphenylphosphane
CID 71387560
benzene;chlororuthenium(1+);[(2S)-2-(diphenylphosphanyloxymethyl)pyrrolidin-1-yl]-diphenylphosphane;chloride
CID 11115242
[(2S)-2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]piperidin-1-yl]-diphenylphosphane
CID 170898114

Frequently Asked Questions

What is the IUPAC name of diphenyl(pyrrolidin-1-yl)phosphane;phenyl(dipyrrolidin-1-yl)phosphane?
The IUPAC name of diphenyl(pyrrolidin-1-yl)phosphane;phenyl(dipyrrolidin-1-yl)phosphane (CID 88816907) is diphenyl(pyrrolidin-1-yl)phosphane;phenyl(dipyrrolidin-1-yl)phosphane.
What is the SMILES notation for diphenyl(pyrrolidin-1-yl)phosphane;phenyl(dipyrrolidin-1-yl)phosphane?
The canonical SMILES for diphenyl(pyrrolidin-1-yl)phosphane;phenyl(dipyrrolidin-1-yl)phosphane is c1ccc(P(N2CCCC2)N2CCCC2)cc1.c1ccc(P(c2ccccc2)N2CCCC2)cc1.
What is the InChIKey of diphenyl(pyrrolidin-1-yl)phosphane;phenyl(dipyrrolidin-1-yl)phosphane?
The InChIKey is LTUIIHACTVPNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18NP.C14H21N2P/c1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;1-2-8-14(9-3-1)17(15-10-4-5-11-15)16-12-6-7-13-16/h1-6,9-12H,7-8,13-14H2;1-3,8-9H,4-7,10-13H2.
What are the key properties of diphenyl(pyrrolidin-1-yl)phosphane;phenyl(dipyrrolidin-1-yl)phosphane?
diphenyl(pyrrolidin-1-yl)phosphane;phenyl(dipyrrolidin-1-yl)phosphane has a molecular weight of 503.61 g/mol, XLogP of 5.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl(pyrrolidin-1-yl)phosphane;phenyl(dipyrrolidin-1-yl)phosphane is sourced from PubChem (CID 88816907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).