2-phenyl-5-[(2R)-2-phenyl-3,4-dihydro-2H-pyrrol-5-yl]-1H-pyrrole

C20H18N2 — CID 136734361

IUPAC2-phenyl-5-[(2R)-2-phenyl-3,4-dihydro-2H-pyrrol-5-yl]-1H-pyrrole
SMILESc1ccc(-c2ccc(C3=N[C@@H](c4ccccc4)CC3)[nH]2)cc1
InChIInChI=1S/C20H18N2/c1-3-7-15(8-4-1)17-11-13-19(21-17)20-14-12-18(22-20)16-9-5-2-6-10-16/h1-11,13,18,21H,12,14H2/t18-/m1/s1
InChIKeyZTJKEKRAMVCXNG-GOSISDBHSA-N
MW286.38 g/mol
LogP5.01
Rot. Bonds3

About 2-phenyl-5-[(2R)-2-phenyl-3,4-dihydro-2H-pyrrol-5-yl]-1H-pyrrole

2-phenyl-5-[(2R)-2-phenyl-3,4-dihydro-2H-pyrrol-5-yl]-1H-pyrrole (PubChem CID 136734361) has the molecular formula C20H18N2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-phenyl-5-[(2R)-2-phenyl-3,4-dihydro-2H-pyrrol-5-yl]-1H-pyrrole.

Molecular Properties

Compound Name2-phenyl-5-[(2R)-2-phenyl-3,4-dihydro-2H-pyrrol-5-yl]-1H-pyrrole
PubChem CID136734361
Molecular FormulaC20H18N2
Molecular Weight286.38 g/mol
Exact Mass286.15
IUPAC Name2-phenyl-5-[(2R)-2-phenyl-3,4-dihydro-2H-pyrrol-5-yl]-1H-pyrrole
SMILESc1ccc(-c2ccc(C3=N[C@@H](c4ccccc4)CC3)[nH]2)cc1
InChIInChI=1S/C20H18N2/c1-3-7-15(8-4-1)17-11-13-19(21-17)20-14-12-18(22-20)16-9-5-2-6-10-16/h1-11,13,18,21H,12,14H2/t18-/m1/s1
InChIKeyZTJKEKRAMVCXNG-GOSISDBHSA-N
XLogP5.01
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.38
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[(2R)-2-phenyl-3,4-dihydro-2H-pyrrol-5-yl]-1H-pyrrole?
The IUPAC name of 2-phenyl-5-[(2R)-2-phenyl-3,4-dihydro-2H-pyrrol-5-yl]-1H-pyrrole (CID 136734361) is 2-phenyl-5-[(2R)-2-phenyl-3,4-dihydro-2H-pyrrol-5-yl]-1H-pyrrole.
What is the SMILES notation for 2-phenyl-5-[(2R)-2-phenyl-3,4-dihydro-2H-pyrrol-5-yl]-1H-pyrrole?
The canonical SMILES for 2-phenyl-5-[(2R)-2-phenyl-3,4-dihydro-2H-pyrrol-5-yl]-1H-pyrrole is c1ccc(-c2ccc(C3=N[C@@H](c4ccccc4)CC3)[nH]2)cc1.
What is the InChIKey of 2-phenyl-5-[(2R)-2-phenyl-3,4-dihydro-2H-pyrrol-5-yl]-1H-pyrrole?
The InChIKey is ZTJKEKRAMVCXNG-GOSISDBHSA-N. The full InChI is InChI=1S/C20H18N2/c1-3-7-15(8-4-1)17-11-13-19(21-17)20-14-12-18(22-20)16-9-5-2-6-10-16/h1-11,13,18,21H,12,14H2/t18-/m1/s1.
What are the key properties of 2-phenyl-5-[(2R)-2-phenyl-3,4-dihydro-2H-pyrrol-5-yl]-1H-pyrrole?
2-phenyl-5-[(2R)-2-phenyl-3,4-dihydro-2H-pyrrol-5-yl]-1H-pyrrole has a molecular weight of 286.38 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[(2R)-2-phenyl-3,4-dihydro-2H-pyrrol-5-yl]-1H-pyrrole is sourced from PubChem (CID 136734361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).