[4-[(4-phenylphenyl)-pyrrolidin-2-ylmethyl]phenyl]methylidenephosphane

C24H24NP — CID 146983386

IUPAC[4-[(4-phenylphenyl)-pyrrolidin-2-ylmethyl]phenyl]methylidenephosphane
SMILES[H]/P=C/c1ccc(C(c2ccc(-c3ccccc3)cc2)C2CCCN2)cc1
InChIInChI=1S/C24H24NP/c26-17-18-8-10-21(11-9-18)24(23-7-4-16-25-23)22-14-12-20(13-15-22)19-5-2-1-3-6-19/h1-3,5-6,8-15,17,23-26H,4,7,16H2
InChIKeyAOTKIWUOSPNQLP-UHFFFAOYSA-N
MW357.44 g/mol
LogP5.53
Rot. Bonds5

About [4-[(4-phenylphenyl)-pyrrolidin-2-ylmethyl]phenyl]methylidenephosphane

[4-[(4-phenylphenyl)-pyrrolidin-2-ylmethyl]phenyl]methylidenephosphane (PubChem CID 146983386) has the molecular formula C24H24NP and a molecular weight of 357.44 g/mol. Its IUPAC name is [4-[(4-phenylphenyl)-pyrrolidin-2-ylmethyl]phenyl]methylidenephosphane.

Molecular Properties

Compound Name[4-[(4-phenylphenyl)-pyrrolidin-2-ylmethyl]phenyl]methylidenephosphane
PubChem CID146983386
Molecular FormulaC24H24NP
Molecular Weight357.44 g/mol
Exact Mass357.16
IUPAC Name[4-[(4-phenylphenyl)-pyrrolidin-2-ylmethyl]phenyl]methylidenephosphane
SMILES[H]/P=C/c1ccc(C(c2ccc(-c3ccccc3)cc2)C2CCCN2)cc1
InChIInChI=1S/C24H24NP/c26-17-18-8-10-21(11-9-18)24(23-7-4-16-25-23)22-14-12-20(13-15-22)19-5-2-1-3-6-19/h1-3,5-6,8-15,17,23-26H,4,7,16H2
InChIKeyAOTKIWUOSPNQLP-UHFFFAOYSA-N
XLogP5.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.44
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[bis(3-phenylphenyl)methyl]pyrrolidine
CID 59628779
N-methyl-1-(4-phenylphenyl)-1-pyrrolidin-2-ylmethanamine
CID 116950906
(2R)-2-[(1R)-1-phenylethyl]pyrrolidine
CID 95732426
(2S)-2-[bis(4-tert-butylphenyl)methyl]pyrrolidine
CID 59628644
(2R)-2-[bis(4-propan-2-ylphenyl)methyl]piperidine
CID 59628791
3-phenyl-5-[1-[(2R)-pyrrolidin-2-yl]ethoxy]pyridine
CID 67605318
(2S)-2-[bis[4-[2-(4-methylphenyl)propan-2-yl]phenyl]methyl]pyrrolidine
CID 59629015
(2R)-2-[bis(3,5-ditert-butylphenyl)methyl]pyrrolidine
CID 59628646
phenyl-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride
CID 68687169
2,2-diphenyl-1-[(2R)-pyrrolidin-2-yl]ethanol
CID 118229705
2,2-diphenyl-1-pyrrolidin-2-ylethanol
CID 69294076
2,2-diphenyl-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 68647594

Frequently Asked Questions

What is the IUPAC name of [4-[(4-phenylphenyl)-pyrrolidin-2-ylmethyl]phenyl]methylidenephosphane?
The IUPAC name of [4-[(4-phenylphenyl)-pyrrolidin-2-ylmethyl]phenyl]methylidenephosphane (CID 146983386) is [4-[(4-phenylphenyl)-pyrrolidin-2-ylmethyl]phenyl]methylidenephosphane.
What is the SMILES notation for [4-[(4-phenylphenyl)-pyrrolidin-2-ylmethyl]phenyl]methylidenephosphane?
The canonical SMILES for [4-[(4-phenylphenyl)-pyrrolidin-2-ylmethyl]phenyl]methylidenephosphane is [H]/P=C/c1ccc(C(c2ccc(-c3ccccc3)cc2)C2CCCN2)cc1.
What is the InChIKey of [4-[(4-phenylphenyl)-pyrrolidin-2-ylmethyl]phenyl]methylidenephosphane?
The InChIKey is AOTKIWUOSPNQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24NP/c26-17-18-8-10-21(11-9-18)24(23-7-4-16-25-23)22-14-12-20(13-15-22)19-5-2-1-3-6-19/h1-3,5-6,8-15,17,23-26H,4,7,16H2.
What are the key properties of [4-[(4-phenylphenyl)-pyrrolidin-2-ylmethyl]phenyl]methylidenephosphane?
[4-[(4-phenylphenyl)-pyrrolidin-2-ylmethyl]phenyl]methylidenephosphane has a molecular weight of 357.44 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-phenylphenyl)-pyrrolidin-2-ylmethyl]phenyl]methylidenephosphane is sourced from PubChem (CID 146983386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).