5-methyl-2,2,4-triphenylpyrrole

C23H19N — CID 11012318

IUPAC5-methyl-2,2,4-triphenylpyrrole
SMILESCC1=NC(c2ccccc2)(c2ccccc2)C=C1c1ccccc1
InChIInChI=1S/C23H19N/c1-18-22(19-11-5-2-6-12-19)17-23(24-18,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-17H,1H3
InChIKeyZOPYHUPHAINVCM-UHFFFAOYSA-N
MW309.41 g/mol
LogP5.49
Rot. Bonds3

About 5-methyl-2,2,4-triphenylpyrrole

5-methyl-2,2,4-triphenylpyrrole (PubChem CID 11012318) has the molecular formula C23H19N and a molecular weight of 309.41 g/mol. Its IUPAC name is 5-methyl-2,2,4-triphenylpyrrole.

Molecular Properties

Compound Name5-methyl-2,2,4-triphenylpyrrole
PubChem CID11012318
Molecular FormulaC23H19N
Molecular Weight309.41 g/mol
Exact Mass309.15
IUPAC Name5-methyl-2,2,4-triphenylpyrrole
SMILESCC1=NC(c2ccccc2)(c2ccccc2)C=C1c1ccccc1
InChIInChI=1S/C23H19N/c1-18-22(19-11-5-2-6-12-19)17-23(24-18,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-17H,1H3
InChIKeyZOPYHUPHAINVCM-UHFFFAOYSA-N
XLogP5.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.41
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 138598
1-Pyrroline, 3,3-diphenyl-2-ethyl-
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Trityl isothiocyanate
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2,3-Diphenyl-1,4-diazaspiro[4.5]deca-1,3-diene
CID 407360
Isocyanic acid, trityl ester
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Dimethylaminotritan
CID 3657291
N-(4-Phenylbenzylidene)benzylamine
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N-Benzylidene-N-(diphenylmethyl)amine
CID 5461747
6,7-Diphenyldibenzo(E,G)(1,4)diazocine
CID 258179
2,5-diphenyl-3,4-dihydro-2H-pyrrole
CID 279812
Benzenemethanamine, N-(diphenylmethylene)-alpha-phenyl-
CID 219139
Benzylamine, N-(diphenylmethylene)-
CID 290996

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,2,4-triphenylpyrrole?
The IUPAC name of 5-methyl-2,2,4-triphenylpyrrole (CID 11012318) is 5-methyl-2,2,4-triphenylpyrrole.
What is the SMILES notation for 5-methyl-2,2,4-triphenylpyrrole?
The canonical SMILES for 5-methyl-2,2,4-triphenylpyrrole is CC1=NC(c2ccccc2)(c2ccccc2)C=C1c1ccccc1.
What is the InChIKey of 5-methyl-2,2,4-triphenylpyrrole?
The InChIKey is ZOPYHUPHAINVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N/c1-18-22(19-11-5-2-6-12-19)17-23(24-18,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-17H,1H3.
What are the key properties of 5-methyl-2,2,4-triphenylpyrrole?
5-methyl-2,2,4-triphenylpyrrole has a molecular weight of 309.41 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,2,4-triphenylpyrrole is sourced from PubChem (CID 11012318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).