1-[1-(2,5-diphenylpyrrolidin-1-yl)ethyl]-2,5-diphenylpyrrolidine

C34H36N2 — CID 89471638

IUPAC1-[1-(2,5-diphenylpyrrolidin-1-yl)ethyl]-2,5-diphenylpyrrolidine
SMILESCC(N1C(c2ccccc2)CCC1c1ccccc1)N1C(c2ccccc2)CCC1c1ccccc1
InChIInChI=1S/C34H36N2/c1-26(35-31(27-14-6-2-7-15-27)22-23-32(35)28-16-8-3-9-17-28)36-33(29-18-10-4-11-19-29)24-25-34(36)30-20-12-5-13-21-30/h2-21,26,31-34H,22-25H2,1H3
InChIKeyUPVHSHPXROBNQZ-UHFFFAOYSA-N
MW472.68 g/mol
LogP8.49
Rot. Bonds6

About 1-[1-(2,5-diphenylpyrrolidin-1-yl)ethyl]-2,5-diphenylpyrrolidine

1-[1-(2,5-diphenylpyrrolidin-1-yl)ethyl]-2,5-diphenylpyrrolidine (PubChem CID 89471638) has the molecular formula C34H36N2 and a molecular weight of 472.68 g/mol. Its IUPAC name is 1-[1-(2,5-diphenylpyrrolidin-1-yl)ethyl]-2,5-diphenylpyrrolidine.

Molecular Properties

Compound Name1-[1-(2,5-diphenylpyrrolidin-1-yl)ethyl]-2,5-diphenylpyrrolidine
PubChem CID89471638
Molecular FormulaC34H36N2
Molecular Weight472.68 g/mol
Exact Mass472.29
IUPAC Name1-[1-(2,5-diphenylpyrrolidin-1-yl)ethyl]-2,5-diphenylpyrrolidine
SMILESCC(N1C(c2ccccc2)CCC1c1ccccc1)N1C(c2ccccc2)CCC1c1ccccc1
InChIInChI=1S/C34H36N2/c1-26(35-31(27-14-6-2-7-15-27)22-23-32(35)28-16-8-3-9-17-28)36-33(29-18-10-4-11-19-29)24-25-34(36)30-20-12-5-13-21-30/h2-21,26,31-34H,22-25H2,1H3
InChIKeyUPVHSHPXROBNQZ-UHFFFAOYSA-N
XLogP8.49
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.68
LogP ≤ 58.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-1,5-di(propan-2-yl)pyrrolidine
CID 21303250
(2S)-2-[(2R,5S)-2,5-diphenylpyrrolidin-1-yl]-2-phenylethanol
CID 11089186
(2R,5R)-1-[2-[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]ethyl]-2,5-diphenylpyrrolidine
CID 135084679
(2S)-2-phenyl-1-propan-2-ylpiperidine
CID 140931618
1-methyl-2-phenylazetidine
CID 576373
(2S,4R)-2-methyl-4-phenyl-3-propan-2-yl-1,3-oxazolidine
CID 102061324
2-phenyl-1-[(1S)-1-phenylethyl]aziridine
CID 71369134
1-methylsulfonyl-2-phenyl-5-propan-2-ylpiperidine
CID 169211755
1-(3-methylbutan-2-yl)-2-phenylpiperidine
CID 175286836
(2R)-1-chloro-2-phenylaziridine
CID 13129910
1-methoxy-5-phenylpyrrolidin-2-ol
CID 130146579
N-[[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]methyl]-N-methylaniline
CID 123872639

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-diphenylpyrrolidin-1-yl)ethyl]-2,5-diphenylpyrrolidine?
The IUPAC name of 1-[1-(2,5-diphenylpyrrolidin-1-yl)ethyl]-2,5-diphenylpyrrolidine (CID 89471638) is 1-[1-(2,5-diphenylpyrrolidin-1-yl)ethyl]-2,5-diphenylpyrrolidine.
What is the SMILES notation for 1-[1-(2,5-diphenylpyrrolidin-1-yl)ethyl]-2,5-diphenylpyrrolidine?
The canonical SMILES for 1-[1-(2,5-diphenylpyrrolidin-1-yl)ethyl]-2,5-diphenylpyrrolidine is CC(N1C(c2ccccc2)CCC1c1ccccc1)N1C(c2ccccc2)CCC1c1ccccc1.
What is the InChIKey of 1-[1-(2,5-diphenylpyrrolidin-1-yl)ethyl]-2,5-diphenylpyrrolidine?
The InChIKey is UPVHSHPXROBNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N2/c1-26(35-31(27-14-6-2-7-15-27)22-23-32(35)28-16-8-3-9-17-28)36-33(29-18-10-4-11-19-29)24-25-34(36)30-20-12-5-13-21-30/h2-21,26,31-34H,22-25H2,1H3.
What are the key properties of 1-[1-(2,5-diphenylpyrrolidin-1-yl)ethyl]-2,5-diphenylpyrrolidine?
1-[1-(2,5-diphenylpyrrolidin-1-yl)ethyl]-2,5-diphenylpyrrolidine has a molecular weight of 472.68 g/mol, XLogP of 8.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-diphenylpyrrolidin-1-yl)ethyl]-2,5-diphenylpyrrolidine is sourced from PubChem (CID 89471638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).