(4-methoxy-2-phenyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone

C25H23NO5 — CID 122183344

IUPAC(4-methoxy-2-phenyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2c(-c3ccccc3)[nH]c3cccc(OC)c23)cc(OC)c1OC
InChIInChI=1S/C25H23NO5/c1-28-18-12-8-11-17-21(18)22(23(26-17)15-9-6-5-7-10-15)24(27)16-13-19(29-2)25(31-4)20(14-16)30-3/h5-14,26H,1-4H3
InChIKeyFEZRZOGDMQJBAL-UHFFFAOYSA-N
MW417.46 g/mol
LogP5.10
Rot. Bonds7

About (4-methoxy-2-phenyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone

(4-methoxy-2-phenyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 122183344) has the molecular formula C25H23NO5 and a molecular weight of 417.46 g/mol. Its IUPAC name is (4-methoxy-2-phenyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(4-methoxy-2-phenyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID122183344
Molecular FormulaC25H23NO5
Molecular Weight417.46 g/mol
Exact Mass417.16
IUPAC Name(4-methoxy-2-phenyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2c(-c3ccccc3)[nH]c3cccc(OC)c23)cc(OC)c1OC
InChIInChI=1S/C25H23NO5/c1-28-18-12-8-11-17-21(18)22(23(26-17)15-9-6-5-7-10-15)24(27)16-13-19(29-2)25(31-4)20(14-16)30-3/h5-14,26H,1-4H3
InChIKeyFEZRZOGDMQJBAL-UHFFFAOYSA-N
XLogP5.10
TPSA69.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.46
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-4-oxo-2-phenyl-1H-quinoline-3-carboxylic acid
CID 91555555
[2-(3-amino-4-methoxyphenyl)-4-(hydroxymethyl)-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 67888868
(3-phenylphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 53364048
(4,5-diphenyl-1H-imidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 102234991
3-methoxy-2-phenyl-1H-indol-4-ol
CID 3024283
bis(4-methoxy-2-methyl-1H-indol-3-yl)methanone
CID 143294111
(3-phenyl-1-benzothiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 50907273
2-phenyl-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole
CID 71546977
(6-phenylpyrimidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 53364049
(3-phenyl-1,2,4-oxadiazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 127036065
3-hydroxy-6,7-dimethoxy-2-phenyl-1H-quinolin-4-one
CID 15459134
3,4,5-trimethoxy-N-[(E)-1-(4-phenylphenyl)ethylideneamino]benzamide
CID 6005452

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2-phenyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (4-methoxy-2-phenyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 122183344) is (4-methoxy-2-phenyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (4-methoxy-2-phenyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (4-methoxy-2-phenyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2c(-c3ccccc3)[nH]c3cccc(OC)c23)cc(OC)c1OC.
What is the InChIKey of (4-methoxy-2-phenyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is FEZRZOGDMQJBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO5/c1-28-18-12-8-11-17-21(18)22(23(26-17)15-9-6-5-7-10-15)24(27)16-13-19(29-2)25(31-4)20(14-16)30-3/h5-14,26H,1-4H3.
What are the key properties of (4-methoxy-2-phenyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
(4-methoxy-2-phenyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 417.46 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2-phenyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 122183344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).