(2Z)-2-[3-(1,5-dimethyl-3H-indol-1-ium-2-yl)prop-2-enylidene]-1,5-dimethyl-3H-indole

C23H25N2+ — CID 88871482

IUPAC(2Z)-2-[3-(1,5-dimethyl-3H-indol-1-ium-2-yl)prop-2-enylidene]-1,5-dimethyl-3H-indole
SMILESCc1ccc2c(c1)C/C(=C/C=CC1=[N+](C)c3ccc(C)cc3C1)N2C
InChIInChI=1S/C23H25N2/c1-16-8-10-22-18(12-16)14-20(24(22)3)6-5-7-21-15-19-13-17(2)9-11-23(19)25(21)4/h5-13H,14-15H2,1-4H3/q+1
InChIKeyCURAZYYHWXXQLB-UHFFFAOYSA-N
MW329.47 g/mol
LogP4.71
Rot. Bonds2

About (2Z)-2-[3-(1,5-dimethyl-3H-indol-1-ium-2-yl)prop-2-enylidene]-1,5-dimethyl-3H-indole

(2Z)-2-[3-(1,5-dimethyl-3H-indol-1-ium-2-yl)prop-2-enylidene]-1,5-dimethyl-3H-indole (PubChem CID 88871482) has the molecular formula C23H25N2+ and a molecular weight of 329.47 g/mol. Its IUPAC name is (2Z)-2-[3-(1,5-dimethyl-3H-indol-1-ium-2-yl)prop-2-enylidene]-1,5-dimethyl-3H-indole.

Molecular Properties

Compound Name(2Z)-2-[3-(1,5-dimethyl-3H-indol-1-ium-2-yl)prop-2-enylidene]-1,5-dimethyl-3H-indole
PubChem CID88871482
Molecular FormulaC23H25N2+
Molecular Weight329.47 g/mol
Exact Mass329.20
IUPAC Name(2Z)-2-[3-(1,5-dimethyl-3H-indol-1-ium-2-yl)prop-2-enylidene]-1,5-dimethyl-3H-indole
SMILESCc1ccc2c(c1)C/C(=C/C=CC1=[N+](C)c3ccc(C)cc3C1)N2C
InChIInChI=1S/C23H25N2/c1-16-8-10-22-18(12-16)14-20(24(22)3)6-5-7-21-15-19-13-17(2)9-11-23(19)25(21)4/h5-13H,14-15H2,1-4H3/q+1
InChIKeyCURAZYYHWXXQLB-UHFFFAOYSA-N
XLogP4.71
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[3-(1,5-dimethyl-3H-indol-1-ium-2-yl)prop-2-enylidene]-1,5-dimethyl-3H-indole?
The IUPAC name of (2Z)-2-[3-(1,5-dimethyl-3H-indol-1-ium-2-yl)prop-2-enylidene]-1,5-dimethyl-3H-indole (CID 88871482) is (2Z)-2-[3-(1,5-dimethyl-3H-indol-1-ium-2-yl)prop-2-enylidene]-1,5-dimethyl-3H-indole.
What is the SMILES notation for (2Z)-2-[3-(1,5-dimethyl-3H-indol-1-ium-2-yl)prop-2-enylidene]-1,5-dimethyl-3H-indole?
The canonical SMILES for (2Z)-2-[3-(1,5-dimethyl-3H-indol-1-ium-2-yl)prop-2-enylidene]-1,5-dimethyl-3H-indole is Cc1ccc2c(c1)C/C(=C/C=CC1=[N+](C)c3ccc(C)cc3C1)N2C.
What is the InChIKey of (2Z)-2-[3-(1,5-dimethyl-3H-indol-1-ium-2-yl)prop-2-enylidene]-1,5-dimethyl-3H-indole?
The InChIKey is CURAZYYHWXXQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N2/c1-16-8-10-22-18(12-16)14-20(24(22)3)6-5-7-21-15-19-13-17(2)9-11-23(19)25(21)4/h5-13H,14-15H2,1-4H3/q+1.
What are the key properties of (2Z)-2-[3-(1,5-dimethyl-3H-indol-1-ium-2-yl)prop-2-enylidene]-1,5-dimethyl-3H-indole?
(2Z)-2-[3-(1,5-dimethyl-3H-indol-1-ium-2-yl)prop-2-enylidene]-1,5-dimethyl-3H-indole has a molecular weight of 329.47 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[3-(1,5-dimethyl-3H-indol-1-ium-2-yl)prop-2-enylidene]-1,5-dimethyl-3H-indole is sourced from PubChem (CID 88871482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).