[3,5-bis(4-methoxyphenyl)-1H-pyrrol-2-yl]-phenylmethanone

C25H21NO3 — CID 22648579

IUPAC[3,5-bis(4-methoxyphenyl)-1H-pyrrol-2-yl]-phenylmethanone
SMILESCOc1ccc(-c2cc(-c3ccc(OC)cc3)c(C(=O)c3ccccc3)[nH]2)cc1
InChIInChI=1S/C25H21NO3/c1-28-20-12-8-17(9-13-20)22-16-23(18-10-14-21(29-2)15-11-18)26-24(22)25(27)19-6-4-3-5-7-19/h3-16,26H,1-2H3
InChIKeyLRHFBZLTSGTJIZ-UHFFFAOYSA-N
MW383.45 g/mol
LogP5.60
Rot. Bonds6

About [3,5-bis(4-methoxyphenyl)-1H-pyrrol-2-yl]-phenylmethanone

[3,5-bis(4-methoxyphenyl)-1H-pyrrol-2-yl]-phenylmethanone (PubChem CID 22648579) has the molecular formula C25H21NO3 and a molecular weight of 383.45 g/mol. Its IUPAC name is [3,5-bis(4-methoxyphenyl)-1H-pyrrol-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[3,5-bis(4-methoxyphenyl)-1H-pyrrol-2-yl]-phenylmethanone
PubChem CID22648579
Molecular FormulaC25H21NO3
Molecular Weight383.45 g/mol
Exact Mass383.15
IUPAC Name[3,5-bis(4-methoxyphenyl)-1H-pyrrol-2-yl]-phenylmethanone
SMILESCOc1ccc(-c2cc(-c3ccc(OC)cc3)c(C(=O)c3ccccc3)[nH]2)cc1
InChIInChI=1S/C25H21NO3/c1-28-20-12-8-17(9-13-20)22-16-23(18-10-14-21(29-2)15-11-18)26-24(22)25(27)19-6-4-3-5-7-19/h3-16,26H,1-2H3
InChIKeyLRHFBZLTSGTJIZ-UHFFFAOYSA-N
XLogP5.60
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.45
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrrole-2-carboxylic acid
CID 100951026
bis(3,5-diphenyl-1H-pyrrol-2-yl)methanone
CID 153465332
methyl 8-[3-(4-methoxyphenyl)-5-phenyl-1H-pyrrol-2-yl]-8-oxooctanoate
CID 157267999
3-(4-butoxyphenyl)-5-phenyl-1H-pyrrole-2-carboxylic acid
CID 70836257
3-(4-methoxyphenyl)-5-phenyl-N-[[4-(2-sulfanylethylcarbamoyl)phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 51038885
4-[3-[3-(4-methoxyphenyl)-5-phenyl-1H-pyrrol-2-yl]-3-oxopropyl]-N-(2-sulfanylethyl)benzamide
CID 159549908
4-[3-[3-(4-methoxyphenyl)-5-phenyl-1H-pyrrol-2-yl]-3-oxopropyl]-N-pyrimidin-2-ylbenzamide
CID 159271775
[2-methoxy-3-(4-methoxyphenyl)phenyl]-phenylmethanone
CID 154019632
1-[2-(4-methoxyphenyl)phenyl]-2-phenylethane-1,2-dione
CID 70106493
[2-amino-3-[3,5-bis(trifluoromethyl)phenyl]-6-(4-methoxyphenyl)-4-phenylphenyl]-phenylmethanone
CID 10461064
[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone
CID 134955229
2-(4-methoxyphenyl)-3H-indeno[2,1-b]pyrrol-4-one
CID 135020716

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(4-methoxyphenyl)-1H-pyrrol-2-yl]-phenylmethanone?
The IUPAC name of [3,5-bis(4-methoxyphenyl)-1H-pyrrol-2-yl]-phenylmethanone (CID 22648579) is [3,5-bis(4-methoxyphenyl)-1H-pyrrol-2-yl]-phenylmethanone.
What is the SMILES notation for [3,5-bis(4-methoxyphenyl)-1H-pyrrol-2-yl]-phenylmethanone?
The canonical SMILES for [3,5-bis(4-methoxyphenyl)-1H-pyrrol-2-yl]-phenylmethanone is COc1ccc(-c2cc(-c3ccc(OC)cc3)c(C(=O)c3ccccc3)[nH]2)cc1.
What is the InChIKey of [3,5-bis(4-methoxyphenyl)-1H-pyrrol-2-yl]-phenylmethanone?
The InChIKey is LRHFBZLTSGTJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO3/c1-28-20-12-8-17(9-13-20)22-16-23(18-10-14-21(29-2)15-11-18)26-24(22)25(27)19-6-4-3-5-7-19/h3-16,26H,1-2H3.
What are the key properties of [3,5-bis(4-methoxyphenyl)-1H-pyrrol-2-yl]-phenylmethanone?
[3,5-bis(4-methoxyphenyl)-1H-pyrrol-2-yl]-phenylmethanone has a molecular weight of 383.45 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(4-methoxyphenyl)-1H-pyrrol-2-yl]-phenylmethanone is sourced from PubChem (CID 22648579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).