[2-methyl-4-[3-(2-propylpyrrol-2-yl)phenyl]phenyl]-phenylmethanone

C27H25NO — CID 91062110

IUPAC[2-methyl-4-[3-(2-propylpyrrol-2-yl)phenyl]phenyl]-phenylmethanone
SMILESCCCC1(c2cccc(-c3ccc(C(=O)c4ccccc4)c(C)c3)c2)C=CC=N1
InChIInChI=1S/C27H25NO/c1-3-15-27(16-8-17-28-27)24-12-7-11-22(19-24)23-13-14-25(20(2)18-23)26(29)21-9-5-4-6-10-21/h4-14,16-19H,3,15H2,1-2H3
InChIKeyRIGZXJSWOKMCHZ-UHFFFAOYSA-N
MW379.50 g/mol
LogP6.53
Rot. Bonds6

About [2-methyl-4-[3-(2-propylpyrrol-2-yl)phenyl]phenyl]-phenylmethanone

[2-methyl-4-[3-(2-propylpyrrol-2-yl)phenyl]phenyl]-phenylmethanone (PubChem CID 91062110) has the molecular formula C27H25NO and a molecular weight of 379.50 g/mol. Its IUPAC name is [2-methyl-4-[3-(2-propylpyrrol-2-yl)phenyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-methyl-4-[3-(2-propylpyrrol-2-yl)phenyl]phenyl]-phenylmethanone
PubChem CID91062110
Molecular FormulaC27H25NO
Molecular Weight379.50 g/mol
Exact Mass379.19
IUPAC Name[2-methyl-4-[3-(2-propylpyrrol-2-yl)phenyl]phenyl]-phenylmethanone
SMILESCCCC1(c2cccc(-c3ccc(C(=O)c4ccccc4)c(C)c3)c2)C=CC=N1
InChIInChI=1S/C27H25NO/c1-3-15-27(16-8-17-28-27)24-12-7-11-22(19-24)23-13-14-25(20(2)18-23)26(29)21-9-5-4-6-10-21/h4-14,16-19H,3,15H2,1-2H3
InChIKeyRIGZXJSWOKMCHZ-UHFFFAOYSA-N
XLogP6.53
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.50
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(E)-3-[4-(benzyliminomethyl)phenyl]prop-2-enoyl]anthracene-9,10-dione
CID 72947874
(3-Methyl-3-phenylisoindol-1-yl)-phenylmethanone
CID 10335626
(3,3-Diphenylisoindol-1-yl)-(4-methylphenyl)methanone
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3-(4-Methylphenyl)-1,1-diphenylisoquinolin-4(1H)-one
CID 13525903
1-Methyl-1,3-diphenylisoquinolin-4-one
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3-Methyl-1,1-diphenylisoquinolin-4-one
CID 14570452
(2E)-2-(Benzylimino)-1,2-diphenylethan-1-one
CID 12943333
3-[2-[(6,6-Dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]pyrrol-2-yl]-1-(4-fluorophenyl)propan-1-one
CID 57265321
1-[5-[N-[1-(4-fluorophenyl)ethyl]-C-methylcarbonimidoyl]-2-[(Z)-1-methyliminopent-2-en-2-yl]phenyl]ethanone
CID 123631141
2-Benzhydrylimino-1-(3-fluorophenyl)ethanone
CID 139818856
2-Benzhydrylimino-1-(2-fluorophenyl)ethanone
CID 139818869
4-(3,4-dimethylphenyl)-1-[3-(4-fluorophenyl)-2H-pyrrol-4-yl]butan-1-one
CID 143451600

Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-[3-(2-propylpyrrol-2-yl)phenyl]phenyl]-phenylmethanone?
The IUPAC name of [2-methyl-4-[3-(2-propylpyrrol-2-yl)phenyl]phenyl]-phenylmethanone (CID 91062110) is [2-methyl-4-[3-(2-propylpyrrol-2-yl)phenyl]phenyl]-phenylmethanone.
What is the SMILES notation for [2-methyl-4-[3-(2-propylpyrrol-2-yl)phenyl]phenyl]-phenylmethanone?
The canonical SMILES for [2-methyl-4-[3-(2-propylpyrrol-2-yl)phenyl]phenyl]-phenylmethanone is CCCC1(c2cccc(-c3ccc(C(=O)c4ccccc4)c(C)c3)c2)C=CC=N1.
What is the InChIKey of [2-methyl-4-[3-(2-propylpyrrol-2-yl)phenyl]phenyl]-phenylmethanone?
The InChIKey is RIGZXJSWOKMCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO/c1-3-15-27(16-8-17-28-27)24-12-7-11-22(19-24)23-13-14-25(20(2)18-23)26(29)21-9-5-4-6-10-21/h4-14,16-19H,3,15H2,1-2H3.
What are the key properties of [2-methyl-4-[3-(2-propylpyrrol-2-yl)phenyl]phenyl]-phenylmethanone?
[2-methyl-4-[3-(2-propylpyrrol-2-yl)phenyl]phenyl]-phenylmethanone has a molecular weight of 379.50 g/mol, XLogP of 6.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-[3-(2-propylpyrrol-2-yl)phenyl]phenyl]-phenylmethanone is sourced from PubChem (CID 91062110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).