5-methyl-2,2,3-triphenyl-3,4-dihydropyrrole

C23H21N — CID 101067448

IUPAC5-methyl-2,2,3-triphenyl-3,4-dihydropyrrole
SMILESCC1=NC(c2ccccc2)(c2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C23H21N/c1-18-17-22(19-11-5-2-6-12-19)23(24-18,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,22H,17H2,1H3
InChIKeyKVNQVSBSLWWALW-UHFFFAOYSA-N
MW311.43 g/mol
LogP5.58
Rot. Bonds3

About 5-methyl-2,2,3-triphenyl-3,4-dihydropyrrole

5-methyl-2,2,3-triphenyl-3,4-dihydropyrrole (PubChem CID 101067448) has the molecular formula C23H21N and a molecular weight of 311.43 g/mol. Its IUPAC name is 5-methyl-2,2,3-triphenyl-3,4-dihydropyrrole.

Molecular Properties

Compound Name5-methyl-2,2,3-triphenyl-3,4-dihydropyrrole
PubChem CID101067448
Molecular FormulaC23H21N
Molecular Weight311.43 g/mol
Exact Mass311.17
IUPAC Name5-methyl-2,2,3-triphenyl-3,4-dihydropyrrole
SMILESCC1=NC(c2ccccc2)(c2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C23H21N/c1-18-17-22(19-11-5-2-6-12-19)23(24-18,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,22H,17H2,1H3
InChIKeyKVNQVSBSLWWALW-UHFFFAOYSA-N
XLogP5.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.43
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 175871621
2-amino-5-cyclopentyl-3-methyl-5-phenylimidazol-4-one
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2,6-dimethyl-4-phenyl-3,4-dihydropyridine
CID 57025415
(2,2-dimethyl-3-methylidenecyclobutyl)benzene
CID 11095097
cis-(1R,2R)-1,2-diphenylcyclopropan-1-ol
CID 165358316
4-methyl-6-phenyl-5,6-dihydro-1H-pyrimidine-2-thione
CID 45056811
1-(2,2-diphenylcyclobutyl)-4-methylbenzene
CID 175322057
[(2R)-2-bromo-2-methylcyclopropyl]benzene
CID 166445339
(1S,2S,3S)-2-methyl-1,3-diphenylcyclopropane-1-carbaldehyde
CID 135068729
(3R)-5-methyl-2,3-diphenyl-3,4-dihydropyrazole
CID 684236
4-chloro-3,5-dimethyl-2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenol
CID 136961717
trans-(1R,2S)-1-methyl-2-phenylcyclopropan-1-amine;hydrochloride
CID 118483877

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,2,3-triphenyl-3,4-dihydropyrrole?
The IUPAC name of 5-methyl-2,2,3-triphenyl-3,4-dihydropyrrole (CID 101067448) is 5-methyl-2,2,3-triphenyl-3,4-dihydropyrrole.
What is the SMILES notation for 5-methyl-2,2,3-triphenyl-3,4-dihydropyrrole?
The canonical SMILES for 5-methyl-2,2,3-triphenyl-3,4-dihydropyrrole is CC1=NC(c2ccccc2)(c2ccccc2)C(c2ccccc2)C1.
What is the InChIKey of 5-methyl-2,2,3-triphenyl-3,4-dihydropyrrole?
The InChIKey is KVNQVSBSLWWALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N/c1-18-17-22(19-11-5-2-6-12-19)23(24-18,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,22H,17H2,1H3.
What are the key properties of 5-methyl-2,2,3-triphenyl-3,4-dihydropyrrole?
5-methyl-2,2,3-triphenyl-3,4-dihydropyrrole has a molecular weight of 311.43 g/mol, XLogP of 5.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,2,3-triphenyl-3,4-dihydropyrrole is sourced from PubChem (CID 101067448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).