2-[diphenyl(1H-pyrrol-2-yl)methyl]-1H-pyrrole

C21H18N2 — CID 11120074

IUPAC2-[diphenyl(1H-pyrrol-2-yl)methyl]-1H-pyrrole
SMILESc1ccc(C(c2ccccc2)(c2ccc[nH]2)c2ccc[nH]2)cc1
InChIInChI=1S/C21H18N2/c1-3-9-17(10-4-1)21(19-13-7-15-22-19,20-14-8-16-23-20)18-11-5-2-6-12-18/h1-16,22-23H
InChIKeyYDVBXXKDTWFZCE-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.73
Rot. Bonds4

About 2-[diphenyl(1H-pyrrol-2-yl)methyl]-1H-pyrrole

2-[diphenyl(1H-pyrrol-2-yl)methyl]-1H-pyrrole (PubChem CID 11120074) has the molecular formula C21H18N2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[diphenyl(1H-pyrrol-2-yl)methyl]-1H-pyrrole.

Molecular Properties

Compound Name2-[diphenyl(1H-pyrrol-2-yl)methyl]-1H-pyrrole
PubChem CID11120074
Molecular FormulaC21H18N2
Molecular Weight298.39 g/mol
Exact Mass298.15
IUPAC Name2-[diphenyl(1H-pyrrol-2-yl)methyl]-1H-pyrrole
SMILESc1ccc(C(c2ccccc2)(c2ccc[nH]2)c2ccc[nH]2)cc1
InChIInChI=1S/C21H18N2/c1-3-9-17(10-4-1)21(19-13-7-15-22-19,20-14-8-16-23-20)18-11-5-2-6-12-18/h1-16,22-23H
InChIKeyYDVBXXKDTWFZCE-UHFFFAOYSA-N
XLogP4.73
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-[diphenyl(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
The IUPAC name of 2-[diphenyl(1H-pyrrol-2-yl)methyl]-1H-pyrrole (CID 11120074) is 2-[diphenyl(1H-pyrrol-2-yl)methyl]-1H-pyrrole.
What is the SMILES notation for 2-[diphenyl(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
The canonical SMILES for 2-[diphenyl(1H-pyrrol-2-yl)methyl]-1H-pyrrole is c1ccc(C(c2ccccc2)(c2ccc[nH]2)c2ccc[nH]2)cc1.
What is the InChIKey of 2-[diphenyl(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
The InChIKey is YDVBXXKDTWFZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2/c1-3-9-17(10-4-1)21(19-13-7-15-22-19,20-14-8-16-23-20)18-11-5-2-6-12-18/h1-16,22-23H.
What are the key properties of 2-[diphenyl(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
2-[diphenyl(1H-pyrrol-2-yl)methyl]-1H-pyrrole has a molecular weight of 298.39 g/mol, XLogP of 4.73, 4 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[diphenyl(1H-pyrrol-2-yl)methyl]-1H-pyrrole is sourced from PubChem (CID 11120074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).