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

C34H36N2 — CID 135084679

IUPAC(2R,5R)-1-[2-[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]ethyl]-2,5-diphenylpyrrolidine
SMILESc1ccc([C@H]2CC[C@H](c3ccccc3)N2CCN2[C@@H](c3ccccc3)CC[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C34H36N2/c1-5-13-27(14-6-1)31-21-22-32(28-15-7-2-8-16-28)35(31)25-26-36-33(29-17-9-3-10-18-29)23-24-34(36)30-19-11-4-12-20-30/h1-20,31-34H,21-26H2/t31-,32-,33-,34-/m1/s1
InChIKeyJCQTULNENNHYKG-YFRBGRBWSA-N
MW472.68 g/mol
LogP8.14
Rot. Bonds7

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

(2R,5R)-1-[2-[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]ethyl]-2,5-diphenylpyrrolidine (PubChem CID 135084679) has the molecular formula C34H36N2 and a molecular weight of 472.68 g/mol. Its IUPAC name is (2R,5R)-1-[2-[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]ethyl]-2,5-diphenylpyrrolidine.

Molecular Properties

Compound Name(2R,5R)-1-[2-[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]ethyl]-2,5-diphenylpyrrolidine
PubChem CID135084679
Molecular FormulaC34H36N2
Molecular Weight472.68 g/mol
Exact Mass472.29
IUPAC Name(2R,5R)-1-[2-[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]ethyl]-2,5-diphenylpyrrolidine
SMILESc1ccc([C@H]2CC[C@H](c3ccccc3)N2CCN2[C@@H](c3ccccc3)CC[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C34H36N2/c1-5-13-27(14-6-1)31-21-22-32(28-15-7-2-8-16-28)35(31)25-26-36-33(29-17-9-3-10-18-29)23-24-34(36)30-19-11-4-12-20-30/h1-20,31-34H,21-26H2/t31-,32-,33-,34-/m1/s1
InChIKeyJCQTULNENNHYKG-YFRBGRBWSA-N
XLogP8.14
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.68
LogP ≤ 58.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,6S)-1-pentyl-2,6-diphenylpiperidine
CID 132552857
N-[[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]methyl]-N-methylaniline
CID 123872639
2-tert-butyl-1-ethyl-5-phenylpyrrolidine
CID 70876764
1-methyl-2-phenylazetidine
CID 576373
[2-[[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]methyl]phenyl]boronic acid
CID 102481746
1-[1-(2,5-diphenylpyrrolidin-1-yl)ethyl]-2,5-diphenylpyrrolidine
CID 89471638
(2R)-1-chloro-2-phenylaziridine
CID 13129910
2-phenylpyrrolidin-1-amine;hydrochloride
CID 75360806
(2S)-2-[(2R,5S)-2,5-diphenylpyrrolidin-1-yl]-2-phenylethanol
CID 11089186
1,2,2,3-tetramethyl-6-phenylpiperidine;hydrate
CID 174976143
1-methyl-2-phenylazepane
CID 23447707
2-(2-phenylpiperidin-1-yl)ethanamine
CID 69157822

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-1-[2-[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]ethyl]-2,5-diphenylpyrrolidine?
The IUPAC name of (2R,5R)-1-[2-[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]ethyl]-2,5-diphenylpyrrolidine (CID 135084679) is (2R,5R)-1-[2-[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]ethyl]-2,5-diphenylpyrrolidine.
What is the SMILES notation for (2R,5R)-1-[2-[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]ethyl]-2,5-diphenylpyrrolidine?
The canonical SMILES for (2R,5R)-1-[2-[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]ethyl]-2,5-diphenylpyrrolidine is c1ccc([C@H]2CC[C@H](c3ccccc3)N2CCN2[C@@H](c3ccccc3)CC[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (2R,5R)-1-[2-[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]ethyl]-2,5-diphenylpyrrolidine?
The InChIKey is JCQTULNENNHYKG-YFRBGRBWSA-N. The full InChI is InChI=1S/C34H36N2/c1-5-13-27(14-6-1)31-21-22-32(28-15-7-2-8-16-28)35(31)25-26-36-33(29-17-9-3-10-18-29)23-24-34(36)30-19-11-4-12-20-30/h1-20,31-34H,21-26H2/t31-,32-,33-,34-/m1/s1.
What are the key properties of (2R,5R)-1-[2-[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]ethyl]-2,5-diphenylpyrrolidine?
(2R,5R)-1-[2-[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]ethyl]-2,5-diphenylpyrrolidine has a molecular weight of 472.68 g/mol, XLogP of 8.14, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-1-[2-[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]ethyl]-2,5-diphenylpyrrolidine is sourced from PubChem (CID 135084679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).