2-[1-(2-ethyl-2,3-dihydroindol-1-ium-1-ylidene)propan-2-ylidene]-1,3,3-trimethylindole

C24H29N2+ — CID 59050858

IUPAC2-[1-(2-ethyl-2,3-dihydroindol-1-ium-1-ylidene)propan-2-ylidene]-1,3,3-trimethylindole
SMILESCCC1Cc2ccccc2/[N+]1=C/C(C)=C1N(C)c2ccccc2C1(C)C
InChIInChI=1S/C24H29N2/c1-6-19-15-18-11-7-9-13-21(18)26(19)16-17(2)23-24(3,4)20-12-8-10-14-22(20)25(23)5/h7-14,16,19H,6,15H2,1-5H3/q+1
InChIKeyTWFBBURQNVHMTM-UHFFFAOYSA-N
MW345.51 g/mol
LogP5.44
Rot. Bonds2

About 2-[1-(2-ethyl-2,3-dihydroindol-1-ium-1-ylidene)propan-2-ylidene]-1,3,3-trimethylindole

2-[1-(2-ethyl-2,3-dihydroindol-1-ium-1-ylidene)propan-2-ylidene]-1,3,3-trimethylindole (PubChem CID 59050858) has the molecular formula C24H29N2+ and a molecular weight of 345.51 g/mol. Its IUPAC name is 2-[1-(2-ethyl-2,3-dihydroindol-1-ium-1-ylidene)propan-2-ylidene]-1,3,3-trimethylindole.

Molecular Properties

Compound Name2-[1-(2-ethyl-2,3-dihydroindol-1-ium-1-ylidene)propan-2-ylidene]-1,3,3-trimethylindole
PubChem CID59050858
Molecular FormulaC24H29N2+
Molecular Weight345.51 g/mol
Exact Mass345.23
IUPAC Name2-[1-(2-ethyl-2,3-dihydroindol-1-ium-1-ylidene)propan-2-ylidene]-1,3,3-trimethylindole
SMILESCCC1Cc2ccccc2/[N+]1=C/C(C)=C1N(C)c2ccccc2C1(C)C
InChIInChI=1S/C24H29N2/c1-6-19-15-18-11-7-9-13-21(18)26(19)16-17(2)23-24(3,4)20-12-8-10-14-22(20)25(23)5/h7-14,16,19H,6,15H2,1-5H3/q+1
InChIKeyTWFBBURQNVHMTM-UHFFFAOYSA-N
XLogP5.44
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.51
LogP ≤ 55.44
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

(2E)-1,3,3-trimethyl-2-[2-(2-methyl-2,3-dihydroindol-1-ium-1-ylidene)ethylidene]indole chloride
CID 6437619
2,4-bis[(1E)-1-(1,3,3-trimethylindol-2-ylidene)ethyl]cyclobutane-1,3-diol
CID 149131412
(2E)-2-(1,3,3-trimethylindol-2-ylidene)propanenitrile
CID 14170385
9,9,10-trimethylacridine
CID 610451
(2Z)-1,3,3-trimethyl-2-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]indole
CID 18806794
2,4-bis[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]cyclobutane-1,3-diolate
CID 15508580
5-[(1E,3E)-1,3-bis(1,3,3-trimethylindol-2-ylidene)propan-2-ylidene]-1,3-diethyl-1,3-diazinane-2,4,6-trione
CID 88817000
(2E)-1-(4-ethylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone
CID 2339263
ethyl 2-(1,3,3-trimethylindol-2-ylidene)acetate
CID 3275142
(4E)-3-oxo-4-(1,3,3-trimethylindol-2-ylidene)butanamide
CID 2330522
(3S)-1-methyl-3-[(3S)-1-methyl-2-oxo-3-prop-2-enylindol-3-yl]-3-prop-2-enylindol-2-one
CID 102235966
3-ethyl-1,3-dimethylindol-2-one
CID 14449303

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethyl-2,3-dihydroindol-1-ium-1-ylidene)propan-2-ylidene]-1,3,3-trimethylindole?
The IUPAC name of 2-[1-(2-ethyl-2,3-dihydroindol-1-ium-1-ylidene)propan-2-ylidene]-1,3,3-trimethylindole (CID 59050858) is 2-[1-(2-ethyl-2,3-dihydroindol-1-ium-1-ylidene)propan-2-ylidene]-1,3,3-trimethylindole.
What is the SMILES notation for 2-[1-(2-ethyl-2,3-dihydroindol-1-ium-1-ylidene)propan-2-ylidene]-1,3,3-trimethylindole?
The canonical SMILES for 2-[1-(2-ethyl-2,3-dihydroindol-1-ium-1-ylidene)propan-2-ylidene]-1,3,3-trimethylindole is CCC1Cc2ccccc2/[N+]1=C/C(C)=C1N(C)c2ccccc2C1(C)C.
What is the InChIKey of 2-[1-(2-ethyl-2,3-dihydroindol-1-ium-1-ylidene)propan-2-ylidene]-1,3,3-trimethylindole?
The InChIKey is TWFBBURQNVHMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N2/c1-6-19-15-18-11-7-9-13-21(18)26(19)16-17(2)23-24(3,4)20-12-8-10-14-22(20)25(23)5/h7-14,16,19H,6,15H2,1-5H3/q+1.
What are the key properties of 2-[1-(2-ethyl-2,3-dihydroindol-1-ium-1-ylidene)propan-2-ylidene]-1,3,3-trimethylindole?
2-[1-(2-ethyl-2,3-dihydroindol-1-ium-1-ylidene)propan-2-ylidene]-1,3,3-trimethylindole has a molecular weight of 345.51 g/mol, XLogP of 5.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethyl-2,3-dihydroindol-1-ium-1-ylidene)propan-2-ylidene]-1,3,3-trimethylindole is sourced from PubChem (CID 59050858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).