2,2-diphenyl-1-[(2S)-2-[4-[4-[4-[2-[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]ethanone

C55H55N5O2 — CID 58490387

About 2,2-diphenyl-1-[(2S)-2-[4-[4-[4-[2-[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]ethanone

2,2-diphenyl-1-[(2S)-2-[4-[4-[4-[2-[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]ethanone (PubChem CID 58490387) has the molecular formula C55H55N5O2 and a molecular weight of 818.08 g/mol. Its IUPAC name is 2,2-diphenyl-1-[(2S)-2-[4-[4-[4-[2-[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2,2-diphenyl-1-[(2S)-2-[4-[4-[4-[2-[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]ethanone
• PubChem CID: 58490387
• Molecular Formula: C55H55N5O2
• Molecular Weight: 818.08 g/mol
• Exact Mass: 817.44
• IUPAC Name: 2,2-diphenyl-1-[(2S)-2-[4-[4-[4-[2-[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]ethanone
• SMILES: O=C(C(c1ccccc1)c1ccccc1)N1CCC[C@H]1C1=NC=C(c2ccc(-c3ccc(C4=CN=C([C@@H]5CCCN5C(=O)[C@@H](c5ccccc5)N5CCCCC5)C4)cc3)cc2)C1
• InChI: InChI=1S/C55H55N5O2/c61-54(52(43-15-5-1-6-16-43)44-17-7-2-8-18-44)59-33-13-21-50(59)48-35-46(37-56-48)41-27-23-39(24-28-41)40-25-29-42(30-26-40)47-36-49(57-38-47)51-22-14-34-60(51)55(62)53(45-19-9-3-10-20-45)58-31-11-4-12-32-58/h1-3,5-10,15-20,23-30,37-38,50-53H,4,11-14,21-22,31-36H2/t50-,51-,53+/m0/s1
• InChIKey: CTHDHXACTGYWCK-HJHWQZDWSA-N
• XLogP: 10.77
• TPSA: 68.58 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	818.08
LogP ≤ 5	10.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-1-[(2S)-2-[4-[4-[4-[2-[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]ethanone?

The IUPAC name of 2,2-diphenyl-1-[(2S)-2-[4-[4-[4-[2-[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]ethanone (CID 58490387) is 2,2-diphenyl-1-[(2S)-2-[4-[4-[4-[2-[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]ethanone.

What is the SMILES notation for 2,2-diphenyl-1-[(2S)-2-[4-[4-[4-[2-[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]ethanone?

The canonical SMILES for 2,2-diphenyl-1-[(2S)-2-[4-[4-[4-[2-[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]ethanone is O=C(C(c1ccccc1)c1ccccc1)N1CCC[C@H]1C1=NC=C(c2ccc(-c3ccc(C4=CN=C([C@@H]5CCCN5C(=O)[C@@H](c5ccccc5)N5CCCCC5)C4)cc3)cc2)C1.

What is the InChIKey of 2,2-diphenyl-1-[(2S)-2-[4-[4-[4-[2-[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]ethanone?

The InChIKey is CTHDHXACTGYWCK-HJHWQZDWSA-N. The full InChI is InChI=1S/C55H55N5O2/c61-54(52(43-15-5-1-6-16-43)44-17-7-2-8-18-44)59-33-13-21-50(59)48-35-46(37-56-48)41-27-23-39(24-28-41)40-25-29-42(30-26-40)47-36-49(57-38-47)51-22-14-34-60(51)55(62)53(45-19-9-3-10-20-45)58-31-11-4-12-32-58/h1-3,5-10,15-20,23-30,37-38,50-53H,4,11-14,21-22,31-36H2/t50-,51-,53+/m0/s1.

What are the key properties of 2,2-diphenyl-1-[(2S)-2-[4-[4-[4-[2-[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]ethanone?

2,2-diphenyl-1-[(2S)-2-[4-[4-[4-[2-[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 818.08 g/mol, XLogP of 10.77, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-diphenyl-1-[(2S)-2-[4-[4-[4-[2-[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 58490387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).