(4-ethylphenyl)-(4-methyl-3-phenyl-4H-pyrrolo[1,2-a]indol-1-yl)methanone

C27H23NO — CID 132527876

IUPAC(4-ethylphenyl)-(4-methyl-3-phenyl-4H-pyrrolo[1,2-a]indol-1-yl)methanone
SMILESCCc1ccc(C(=O)c2cc(-c3ccccc3)c3n2-c2ccccc2C3C)cc1
InChIInChI=1S/C27H23NO/c1-3-19-13-15-21(16-14-19)27(29)25-17-23(20-9-5-4-6-10-20)26-18(2)22-11-7-8-12-24(22)28(25)26/h4-18H,3H2,1-2H3
InChIKeyYYCJGAARVUBYEG-UHFFFAOYSA-N
MW377.49 g/mol
LogP6.40
Rot. Bonds4

About (4-ethylphenyl)-(4-methyl-3-phenyl-4H-pyrrolo[1,2-a]indol-1-yl)methanone

(4-ethylphenyl)-(4-methyl-3-phenyl-4H-pyrrolo[1,2-a]indol-1-yl)methanone (PubChem CID 132527876) has the molecular formula C27H23NO and a molecular weight of 377.49 g/mol. Its IUPAC name is (4-ethylphenyl)-(4-methyl-3-phenyl-4H-pyrrolo[1,2-a]indol-1-yl)methanone.

Molecular Properties

Compound Name(4-ethylphenyl)-(4-methyl-3-phenyl-4H-pyrrolo[1,2-a]indol-1-yl)methanone
PubChem CID132527876
Molecular FormulaC27H23NO
Molecular Weight377.49 g/mol
Exact Mass377.18
IUPAC Name(4-ethylphenyl)-(4-methyl-3-phenyl-4H-pyrrolo[1,2-a]indol-1-yl)methanone
SMILESCCc1ccc(C(=O)c2cc(-c3ccccc3)c3n2-c2ccccc2C3C)cc1
InChIInChI=1S/C27H23NO/c1-3-19-13-15-21(16-14-19)27(29)25-17-23(20-9-5-4-6-10-20)26-18(2)22-11-7-8-12-24(22)28(25)26/h4-18H,3H2,1-2H3
InChIKeyYYCJGAARVUBYEG-UHFFFAOYSA-N
XLogP6.40
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.49
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[4-(4-ethylphenyl)-4-oxobutanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 120691460
4-(4-ethylphenyl)-3-methylbenzoic acid
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1-(4-ethylphenyl)-2-phenylethanone
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(4-ethylphenyl)-(1-prop-2-enylpyrrol-2-yl)methanone
CID 23117004
N-(3-benzamidophenyl)-4-ethylbenzamide
CID 17102471
(3-aminonaphthalen-2-yl)-(4-ethylphenyl)methanone
CID 116560466
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-ethylphenyl)methanone
CID 64982409
1-(4-ethylphenyl)-3,5-diphenylbenzene
CID 123998830
(2R)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-ethylphenyl)propan-1-one
CID 7841214

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-(4-methyl-3-phenyl-4H-pyrrolo[1,2-a]indol-1-yl)methanone?
The IUPAC name of (4-ethylphenyl)-(4-methyl-3-phenyl-4H-pyrrolo[1,2-a]indol-1-yl)methanone (CID 132527876) is (4-ethylphenyl)-(4-methyl-3-phenyl-4H-pyrrolo[1,2-a]indol-1-yl)methanone.
What is the SMILES notation for (4-ethylphenyl)-(4-methyl-3-phenyl-4H-pyrrolo[1,2-a]indol-1-yl)methanone?
The canonical SMILES for (4-ethylphenyl)-(4-methyl-3-phenyl-4H-pyrrolo[1,2-a]indol-1-yl)methanone is CCc1ccc(C(=O)c2cc(-c3ccccc3)c3n2-c2ccccc2C3C)cc1.
What is the InChIKey of (4-ethylphenyl)-(4-methyl-3-phenyl-4H-pyrrolo[1,2-a]indol-1-yl)methanone?
The InChIKey is YYCJGAARVUBYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO/c1-3-19-13-15-21(16-14-19)27(29)25-17-23(20-9-5-4-6-10-20)26-18(2)22-11-7-8-12-24(22)28(25)26/h4-18H,3H2,1-2H3.
What are the key properties of (4-ethylphenyl)-(4-methyl-3-phenyl-4H-pyrrolo[1,2-a]indol-1-yl)methanone?
(4-ethylphenyl)-(4-methyl-3-phenyl-4H-pyrrolo[1,2-a]indol-1-yl)methanone has a molecular weight of 377.49 g/mol, XLogP of 6.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-(4-methyl-3-phenyl-4H-pyrrolo[1,2-a]indol-1-yl)methanone is sourced from PubChem (CID 132527876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).