(5-methoxyindol-1-yl)-(5-methoxy-1H-indol-2-yl)methanone

C57H48N6O9 — CID 139083916

IUPAC(5-methoxyindol-1-yl)-(5-methoxy-1H-indol-2-yl)methanone
SMILESCOc1ccc2[nH]c(C(=O)n3ccc4cc(OC)ccc43)cc2c1.COc1ccc2[nH]c(C(=O)n3ccc4cc(OC)ccc43)cc2c1.COc1ccc2[nH]c(C(=O)n3ccc4cc(OC)ccc43)cc2c1
InChIInChI=1S/3C19H16N2O3/c3*1-23-14-3-5-16-13(10-14)11-17(20-16)19(22)21-8-7-12-9-15(24-2)4-6-18(12)21/h3*3-11,20H,1-2H3
InChIKeyWWGBMRVCTDIXKT-UHFFFAOYSA-N
MW961.04 g/mol
LogP11.48
Rot. Bonds9

About (5-methoxyindol-1-yl)-(5-methoxy-1H-indol-2-yl)methanone

(5-methoxyindol-1-yl)-(5-methoxy-1H-indol-2-yl)methanone (PubChem CID 139083916) has the molecular formula C57H48N6O9 and a molecular weight of 961.04 g/mol. Its IUPAC name is (5-methoxyindol-1-yl)-(5-methoxy-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name(5-methoxyindol-1-yl)-(5-methoxy-1H-indol-2-yl)methanone
PubChem CID139083916
Molecular FormulaC57H48N6O9
Molecular Weight961.04 g/mol
Exact Mass960.35
IUPAC Name(5-methoxyindol-1-yl)-(5-methoxy-1H-indol-2-yl)methanone
SMILESCOc1ccc2[nH]c(C(=O)n3ccc4cc(OC)ccc43)cc2c1.COc1ccc2[nH]c(C(=O)n3ccc4cc(OC)ccc43)cc2c1.COc1ccc2[nH]c(C(=O)n3ccc4cc(OC)ccc43)cc2c1
InChIInChI=1S/3C19H16N2O3/c3*1-23-14-3-5-16-13(10-14)11-17(20-16)19(22)21-8-7-12-9-15(24-2)4-6-18(12)21/h3*3-11,20H,1-2H3
InChIKeyWWGBMRVCTDIXKT-UHFFFAOYSA-N
XLogP11.48
TPSA168.75 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500961.04
LogP ≤ 511.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze (5-methoxyindol-1-yl)-(5-methoxy-1H-indol-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methoxyindole-1-carboxylic acid
CID 68566461
(3,5-dimethoxyphenyl)-(5-methoxy-1H-indol-2-yl)methanone
CID 10403180
N,5-dimethoxy-N-methyl-1H-indole-2-carboxamide
CID 23003326
(3,5-dimethylphenyl)-[4-(5-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53013228
5-methoxy-N-(4-methoxyphenyl)indole-1-carboxamide
CID 173299571
5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide
CID 110847836
(3,4-dimethylphenyl)-[4-(5-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53013211
2-[(3R,4S)-4-hydroxy-1-(5-methoxy-1H-indole-2-carbonyl)pyrrolidin-3-yl]acetic acid
CID 154567698
N-(aminomethylidene)-5-methoxy-1H-indole-2-carboxamide
CID 123205970
cyclobutyl-(5-methoxy-1H-indol-2-yl)methanone
CID 10955347
(2S)-2-(diethylamino)-1-(5-methoxyindol-1-yl)propan-1-one
CID 170000579
(6-chloro-1H-indol-2-yl)-(5-methoxy-1H-indol-2-yl)methanone
CID 11688408

Frequently Asked Questions

What is the IUPAC name of (5-methoxyindol-1-yl)-(5-methoxy-1H-indol-2-yl)methanone?
The IUPAC name of (5-methoxyindol-1-yl)-(5-methoxy-1H-indol-2-yl)methanone (CID 139083916) is (5-methoxyindol-1-yl)-(5-methoxy-1H-indol-2-yl)methanone.
What is the SMILES notation for (5-methoxyindol-1-yl)-(5-methoxy-1H-indol-2-yl)methanone?
The canonical SMILES for (5-methoxyindol-1-yl)-(5-methoxy-1H-indol-2-yl)methanone is COc1ccc2[nH]c(C(=O)n3ccc4cc(OC)ccc43)cc2c1.COc1ccc2[nH]c(C(=O)n3ccc4cc(OC)ccc43)cc2c1.COc1ccc2[nH]c(C(=O)n3ccc4cc(OC)ccc43)cc2c1.
What is the InChIKey of (5-methoxyindol-1-yl)-(5-methoxy-1H-indol-2-yl)methanone?
The InChIKey is WWGBMRVCTDIXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/3C19H16N2O3/c3*1-23-14-3-5-16-13(10-14)11-17(20-16)19(22)21-8-7-12-9-15(24-2)4-6-18(12)21/h3*3-11,20H,1-2H3.
What are the key properties of (5-methoxyindol-1-yl)-(5-methoxy-1H-indol-2-yl)methanone?
(5-methoxyindol-1-yl)-(5-methoxy-1H-indol-2-yl)methanone has a molecular weight of 961.04 g/mol, XLogP of 11.48, 9 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxyindol-1-yl)-(5-methoxy-1H-indol-2-yl)methanone is sourced from PubChem (CID 139083916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).