3-[(Z)-indol-1-ium-3-ylidene-(3-methoxyphenyl)methyl]-1H-indole

C24H19N2O+ — CID 155772366

IUPAC3-[(Z)-indol-1-ium-3-ylidene-(3-methoxyphenyl)methyl]-1H-indole
SMILESCOc1cccc(/C(=C2/C=[NH+]c3ccccc32)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C24H18N2O/c1-27-17-8-6-7-16(13-17)24(20-14-25-22-11-4-2-9-18(20)22)21-15-26-23-12-5-3-10-19(21)23/h2-15,25H,1H3/p+1/b24-21+
InChIKeyKHNCYYZJOISLSX-DARPEHSRSA-O
MW351.43 g/mol
LogP3.93
Rot. Bonds3

About 3-[(Z)-indol-1-ium-3-ylidene-(3-methoxyphenyl)methyl]-1H-indole

3-[(Z)-indol-1-ium-3-ylidene-(3-methoxyphenyl)methyl]-1H-indole (PubChem CID 155772366) has the molecular formula C24H19N2O+ and a molecular weight of 351.43 g/mol. Its IUPAC name is 3-[(Z)-indol-1-ium-3-ylidene-(3-methoxyphenyl)methyl]-1H-indole.

Molecular Properties

Compound Name3-[(Z)-indol-1-ium-3-ylidene-(3-methoxyphenyl)methyl]-1H-indole
PubChem CID155772366
Molecular FormulaC24H19N2O+
Molecular Weight351.43 g/mol
Exact Mass351.15
IUPAC Name3-[(Z)-indol-1-ium-3-ylidene-(3-methoxyphenyl)methyl]-1H-indole
SMILESCOc1cccc(/C(=C2/C=[NH+]c3ccccc32)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C24H18N2O/c1-27-17-8-6-7-16(13-17)24(20-14-25-22-11-4-2-9-18(20)22)21-15-26-23-12-5-3-10-19(21)23/h2-15,25H,1H3/p+1/b24-21+
InChIKeyKHNCYYZJOISLSX-DARPEHSRSA-O
XLogP3.93
TPSA38.99 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

3-[(Z)-(3-bromophenyl)-indol-1-ium-3-ylidenemethyl]-1H-indole
CID 155772227
3-[(Z)-indol-1-ium-3-ylidene-(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1H-indole
CID 155772278
4-[indol-1-ium-3-ylidene(1H-indol-3-yl)methyl]-2-(trifluoromethyl)phenol
CID 162212810
3-[indol-1-ium-3-ylidene-(4-methylphenyl)methyl]-1H-indole;methanesulfonate
CID 160524164
3-[(Z)-indol-1-ium-3-ylidene-[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-indole
CID 155772383
[2-(3-methoxyphenyl)-2-oxoethyl] 1H-indole-3-carboxylate
CID 27535148
5-fluoro-3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methylidene]indol-1-ium
CID 169425143
5-fluoro-3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methylidene]indol-1-ium chloride
CID 158099261
2-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4-oxobutanoic acid
CID 129234967
(5-bromo-1H-indol-3-yl)-(3-methoxyphenyl)methanone
CID 43162092
N-[(E)-1H-indol-3-ylmethylideneamino]-3-methoxybenzamide
CID 135458765
3-[2-(3-methoxyphenyl)ethyl]-1H-indole
CID 22038177

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-indol-1-ium-3-ylidene-(3-methoxyphenyl)methyl]-1H-indole?
The IUPAC name of 3-[(Z)-indol-1-ium-3-ylidene-(3-methoxyphenyl)methyl]-1H-indole (CID 155772366) is 3-[(Z)-indol-1-ium-3-ylidene-(3-methoxyphenyl)methyl]-1H-indole.
What is the SMILES notation for 3-[(Z)-indol-1-ium-3-ylidene-(3-methoxyphenyl)methyl]-1H-indole?
The canonical SMILES for 3-[(Z)-indol-1-ium-3-ylidene-(3-methoxyphenyl)methyl]-1H-indole is COc1cccc(/C(=C2/C=[NH+]c3ccccc32)c2c[nH]c3ccccc23)c1.
What is the InChIKey of 3-[(Z)-indol-1-ium-3-ylidene-(3-methoxyphenyl)methyl]-1H-indole?
The InChIKey is KHNCYYZJOISLSX-DARPEHSRSA-O. The full InChI is InChI=1S/C24H18N2O/c1-27-17-8-6-7-16(13-17)24(20-14-25-22-11-4-2-9-18(20)22)21-15-26-23-12-5-3-10-19(21)23/h2-15,25H,1H3/p+1/b24-21+.
What are the key properties of 3-[(Z)-indol-1-ium-3-ylidene-(3-methoxyphenyl)methyl]-1H-indole?
3-[(Z)-indol-1-ium-3-ylidene-(3-methoxyphenyl)methyl]-1H-indole has a molecular weight of 351.43 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-indol-1-ium-3-ylidene-(3-methoxyphenyl)methyl]-1H-indole is sourced from PubChem (CID 155772366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).