4-methyl-3-(4-methylphenyl)-1-phenyl-4H-pyrrolo[1,2-a]indole

C25H21N — CID 139236545

IUPAC4-methyl-3-(4-methylphenyl)-1-phenyl-4H-pyrrolo[1,2-a]indole
SMILESCc1ccc(-c2cc(-c3ccccc3)n3c2C(C)c2ccccc2-3)cc1
InChIInChI=1S/C25H21N/c1-17-12-14-19(15-13-17)22-16-24(20-8-4-3-5-9-20)26-23-11-7-6-10-21(23)18(2)25(22)26/h3-16,18H,1-2H3
InChIKeyOHGCQXLMRSPSSJ-UHFFFAOYSA-N
MW335.45 g/mol
LogP6.58
Rot. Bonds2

About 4-methyl-3-(4-methylphenyl)-1-phenyl-4H-pyrrolo[1,2-a]indole

4-methyl-3-(4-methylphenyl)-1-phenyl-4H-pyrrolo[1,2-a]indole (PubChem CID 139236545) has the molecular formula C25H21N and a molecular weight of 335.45 g/mol. Its IUPAC name is 4-methyl-3-(4-methylphenyl)-1-phenyl-4H-pyrrolo[1,2-a]indole.

Molecular Properties

Compound Name4-methyl-3-(4-methylphenyl)-1-phenyl-4H-pyrrolo[1,2-a]indole
PubChem CID139236545
Molecular FormulaC25H21N
Molecular Weight335.45 g/mol
Exact Mass335.17
IUPAC Name4-methyl-3-(4-methylphenyl)-1-phenyl-4H-pyrrolo[1,2-a]indole
SMILESCc1ccc(-c2cc(-c3ccccc3)n3c2C(C)c2ccccc2-3)cc1
InChIInChI=1S/C25H21N/c1-17-12-14-19(15-13-17)22-16-24(20-8-4-3-5-9-20)26-23-11-7-6-10-21(23)18(2)25(22)26/h3-16,18H,1-2H3
InChIKeyOHGCQXLMRSPSSJ-UHFFFAOYSA-N
XLogP6.58
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.45
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

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Related Compounds

3-(4-bromophenyl)-4-methyl-1-phenyl-4H-pyrrolo[1,2-a]indole
CID 139236548
3-(4-methylphenyl)-1,2,5-triphenylpyrrole
CID 11851226
2-(4-methylphenyl)-1,3,5-triphenylpyrrole
CID 6710391
(4-ethylphenyl)-(4-methyl-3-phenyl-4H-pyrrolo[1,2-a]indol-1-yl)methanone
CID 132527876
2-(4-methoxyphenyl)-1-(4-methylphenyl)-3,5-diphenylpyrrole
CID 12995302
1-(4-methylphenyl)-3,5-bis(4-phenylphenyl)benzene
CID 142935427
ethane;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene
CID 142405863
ethane;bis(1-methyl-4-phenylbenzene);bis(1,4-xylene)
CID 159318661
1-methyl-4-(4-methylphenyl)-2-phenylbenzene
CID 18683184
1-methyl-4-[2-(3-phenylphenyl)phenyl]benzene
CID 58390014
ethane;1-methyl-4-phenylbenzene;toluene
CID 159803578
ethane;1-methyl-4-phenylbenzene;toluene
CID 157456524

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(4-methylphenyl)-1-phenyl-4H-pyrrolo[1,2-a]indole?
The IUPAC name of 4-methyl-3-(4-methylphenyl)-1-phenyl-4H-pyrrolo[1,2-a]indole (CID 139236545) is 4-methyl-3-(4-methylphenyl)-1-phenyl-4H-pyrrolo[1,2-a]indole.
What is the SMILES notation for 4-methyl-3-(4-methylphenyl)-1-phenyl-4H-pyrrolo[1,2-a]indole?
The canonical SMILES for 4-methyl-3-(4-methylphenyl)-1-phenyl-4H-pyrrolo[1,2-a]indole is Cc1ccc(-c2cc(-c3ccccc3)n3c2C(C)c2ccccc2-3)cc1.
What is the InChIKey of 4-methyl-3-(4-methylphenyl)-1-phenyl-4H-pyrrolo[1,2-a]indole?
The InChIKey is OHGCQXLMRSPSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N/c1-17-12-14-19(15-13-17)22-16-24(20-8-4-3-5-9-20)26-23-11-7-6-10-21(23)18(2)25(22)26/h3-16,18H,1-2H3.
What are the key properties of 4-methyl-3-(4-methylphenyl)-1-phenyl-4H-pyrrolo[1,2-a]indole?
4-methyl-3-(4-methylphenyl)-1-phenyl-4H-pyrrolo[1,2-a]indole has a molecular weight of 335.45 g/mol, XLogP of 6.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(4-methylphenyl)-1-phenyl-4H-pyrrolo[1,2-a]indole is sourced from PubChem (CID 139236545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).