1-(2,3-dihydroindol-1-ium-1-ylidene)-3-(2,3-dihydroindol-1-yl)isoindole

C24H20N3+ — CID 76846907

IUPAC1-(2,3-dihydroindol-1-ium-1-ylidene)-3-(2,3-dihydroindol-1-yl)isoindole
SMILESc1ccc2c(c1)CCN2C1=N/C(=[N+]2\CCc3ccccc32)c2ccccc21
InChIInChI=1S/C24H20N3/c1-5-11-21-17(7-1)13-15-26(21)23-19-9-3-4-10-20(19)24(25-23)27-16-14-18-8-2-6-12-22(18)27/h1-12H,13-16H2/q+1
InChIKeyJIFIVVWTKMJDAX-UHFFFAOYSA-N
MW350.45 g/mol
LogP4.16
Rot. Bonds

About 1-(2,3-dihydroindol-1-ium-1-ylidene)-3-(2,3-dihydroindol-1-yl)isoindole

1-(2,3-dihydroindol-1-ium-1-ylidene)-3-(2,3-dihydroindol-1-yl)isoindole (PubChem CID 76846907) has the molecular formula C24H20N3+ and a molecular weight of 350.45 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-ium-1-ylidene)-3-(2,3-dihydroindol-1-yl)isoindole.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-ium-1-ylidene)-3-(2,3-dihydroindol-1-yl)isoindole
PubChem CID76846907
Molecular FormulaC24H20N3+
Molecular Weight350.45 g/mol
Exact Mass350.17
IUPAC Name1-(2,3-dihydroindol-1-ium-1-ylidene)-3-(2,3-dihydroindol-1-yl)isoindole
SMILESc1ccc2c(c1)CCN2C1=N/C(=[N+]2\CCc3ccccc32)c2ccccc21
InChIInChI=1S/C24H20N3/c1-5-11-21-17(7-1)13-15-26(21)23-19-9-3-4-10-20(19)24(25-23)27-16-14-18-8-2-6-12-22(18)27/h1-12H,13-16H2/q+1
InChIKeyJIFIVVWTKMJDAX-UHFFFAOYSA-N
XLogP4.16
TPSA18.61 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-[3-(2,3-dihydroindol-1-ium-1-ylidene)-6-(2,3-dihydroindol-1-yl)xanthen-9-yl]benzenesulfonic acid
CID 15297065
2-[3-(2,3-dihydroindol-1-ium-1-ylidene)-6-(2,3-dihydroindol-1-yl)xanthen-9-yl]-N-methylbenzenesulfonamide
CID 58729511
3-(2,3-dihydroindol-1-yl)quinoxalin-2-amine
CID 102985180
1-(3,4-dihydro-2H-pyrrol-5-yl)-2,3-dihydroindole
CID 121014609
1-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole
CID 112868870
1-(1H-imidazol-5-yl)-2,3-dihydroindole
CID 54328631
1-(3,5-dichlorophenyl)-2,3-dihydroindole
CID 110455009
1-(3,5-dimethylphenyl)-2,3-dihydroindole
CID 91512599
1-[2-[3-(2,3-dihydroindol-1-ium-1-ylidene)-6-(2,3-dihydroindol-1-yl)xanthen-9-yl]phenyl]sulfonylpiperidine-4-carbohydrazide
CID 145162416
1-(3-methyl-2-pyridinyl)-2,3-dihydroindole
CID 143449251
5-[3-(2,3-dihydroindol-1-ium-1-ylidene)-7-(2,3-dihydroindol-1-yl)-5,5-dimethylbenzo[b][1]benzosilin-10-yl]thiophene-2-carboxylic acid
CID 86270113
[1-[[2-[3-(2,3-dihydroindol-1-ium-1-ylidene)-6-(2,3-dihydroindol-1-yl)xanthen-9-yl]phenyl]methyl]piperidin-3-yl]methanol
CID 21340319

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-ium-1-ylidene)-3-(2,3-dihydroindol-1-yl)isoindole?
The IUPAC name of 1-(2,3-dihydroindol-1-ium-1-ylidene)-3-(2,3-dihydroindol-1-yl)isoindole (CID 76846907) is 1-(2,3-dihydroindol-1-ium-1-ylidene)-3-(2,3-dihydroindol-1-yl)isoindole.
What is the SMILES notation for 1-(2,3-dihydroindol-1-ium-1-ylidene)-3-(2,3-dihydroindol-1-yl)isoindole?
The canonical SMILES for 1-(2,3-dihydroindol-1-ium-1-ylidene)-3-(2,3-dihydroindol-1-yl)isoindole is c1ccc2c(c1)CCN2C1=N/C(=[N+]2\CCc3ccccc32)c2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-ium-1-ylidene)-3-(2,3-dihydroindol-1-yl)isoindole?
The InChIKey is JIFIVVWTKMJDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N3/c1-5-11-21-17(7-1)13-15-26(21)23-19-9-3-4-10-20(19)24(25-23)27-16-14-18-8-2-6-12-22(18)27/h1-12H,13-16H2/q+1.
What are the key properties of 1-(2,3-dihydroindol-1-ium-1-ylidene)-3-(2,3-dihydroindol-1-yl)isoindole?
1-(2,3-dihydroindol-1-ium-1-ylidene)-3-(2,3-dihydroindol-1-yl)isoindole has a molecular weight of 350.45 g/mol, XLogP of 4.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-ium-1-ylidene)-3-(2,3-dihydroindol-1-yl)isoindole is sourced from PubChem (CID 76846907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).