2-[bis(4-phenylphenyl)methyl]-4-methylidenepyrrolidine

C30H27N — CID 88997760

IUPAC2-[bis(4-phenylphenyl)methyl]-4-methylidenepyrrolidine
SMILESC=C1CNC(C(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C30H27N/c1-22-20-29(31-21-22)30(27-16-12-25(13-17-27)23-8-4-2-5-9-23)28-18-14-26(15-19-28)24-10-6-3-7-11-24/h2-19,29-31H,1,20-21H2
InChIKeyWCKKOVGXGUNSHR-UHFFFAOYSA-N
MW401.55 g/mol
LogP7.07
Rot. Bonds5

About 2-[bis(4-phenylphenyl)methyl]-4-methylidenepyrrolidine

2-[bis(4-phenylphenyl)methyl]-4-methylidenepyrrolidine (PubChem CID 88997760) has the molecular formula C30H27N and a molecular weight of 401.55 g/mol. Its IUPAC name is 2-[bis(4-phenylphenyl)methyl]-4-methylidenepyrrolidine.

Molecular Properties

Compound Name2-[bis(4-phenylphenyl)methyl]-4-methylidenepyrrolidine
PubChem CID88997760
Molecular FormulaC30H27N
Molecular Weight401.55 g/mol
Exact Mass401.21
IUPAC Name2-[bis(4-phenylphenyl)methyl]-4-methylidenepyrrolidine
SMILESC=C1CNC(C(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C30H27N/c1-22-20-29(31-21-22)30(27-16-12-25(13-17-27)23-8-4-2-5-9-23)28-18-14-26(15-19-28)24-10-6-3-7-11-24/h2-19,29-31H,1,20-21H2
InChIKeyWCKKOVGXGUNSHR-UHFFFAOYSA-N
XLogP7.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.55
LogP ≤ 57.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Fendiline
CID 3336
Prenylamine
CID 9801
Fendiline Hydrochloride
CID 5702162
2-Diphenylmethylpiperidine
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Amn082
CID 1894361
N-Benzyl(triphenyl)methanamine
CID 623373
1-Biphenyl-4-yl-3-aza-bicyclo[3.1.0]hexane
CID 13279027
(5,5-Diphenyl-pentyl)-phenethyl-amine
CID 44310857
Fendiline, (S)-
CID 6604342
Diphenyl isoindoline
CID 606734
Propylamine, 2-methyl-N-trityl-
CID 76954
(2S)-2-(Diphenylmethyl)pyrrolidine
CID 2734053

Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-phenylphenyl)methyl]-4-methylidenepyrrolidine?
The IUPAC name of 2-[bis(4-phenylphenyl)methyl]-4-methylidenepyrrolidine (CID 88997760) is 2-[bis(4-phenylphenyl)methyl]-4-methylidenepyrrolidine.
What is the SMILES notation for 2-[bis(4-phenylphenyl)methyl]-4-methylidenepyrrolidine?
The canonical SMILES for 2-[bis(4-phenylphenyl)methyl]-4-methylidenepyrrolidine is C=C1CNC(C(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of 2-[bis(4-phenylphenyl)methyl]-4-methylidenepyrrolidine?
The InChIKey is WCKKOVGXGUNSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N/c1-22-20-29(31-21-22)30(27-16-12-25(13-17-27)23-8-4-2-5-9-23)28-18-14-26(15-19-28)24-10-6-3-7-11-24/h2-19,29-31H,1,20-21H2.
What are the key properties of 2-[bis(4-phenylphenyl)methyl]-4-methylidenepyrrolidine?
2-[bis(4-phenylphenyl)methyl]-4-methylidenepyrrolidine has a molecular weight of 401.55 g/mol, XLogP of 7.07, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-phenylphenyl)methyl]-4-methylidenepyrrolidine is sourced from PubChem (CID 88997760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).