(2Z)-1,3,3-trimethyl-2-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]indole

C24H28N2 — CID 18806794

IUPAC(2Z)-1,3,3-trimethyl-2-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]indole
SMILESCN1/C(=C\C=C2\N(C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21
InChIInChI=1S/C24H28N2/c1-23(2)17-11-7-9-13-19(17)25(5)21(23)15-16-22-24(3,4)18-12-8-10-14-20(18)26(22)6/h7-16H,1-6H3/b21-15-,22-16+
InChIKeyZCIHGSIBIABIPL-KBNZVFGVSA-N
MW344.50 g/mol
LogP5.61
Rot. Bonds1

About (2Z)-1,3,3-trimethyl-2-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]indole

(2Z)-1,3,3-trimethyl-2-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]indole (PubChem CID 18806794) has the molecular formula C24H28N2 and a molecular weight of 344.50 g/mol. Its IUPAC name is (2Z)-1,3,3-trimethyl-2-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]indole.

Molecular Properties

Compound Name(2Z)-1,3,3-trimethyl-2-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]indole
PubChem CID18806794
Molecular FormulaC24H28N2
Molecular Weight344.50 g/mol
Exact Mass344.23
IUPAC Name(2Z)-1,3,3-trimethyl-2-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]indole
SMILESCN1/C(=C\C=C2\N(C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21
InChIInChI=1S/C24H28N2/c1-23(2)17-11-7-9-13-19(17)25(5)21(23)15-16-22-24(3,4)18-12-8-10-14-20(18)26(22)6/h7-16H,1-6H3/b21-15-,22-16+
InChIKeyZCIHGSIBIABIPL-KBNZVFGVSA-N
XLogP5.61
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2Z)-1,3,3-trimethyl-2-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]indole?
The IUPAC name of (2Z)-1,3,3-trimethyl-2-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]indole (CID 18806794) is (2Z)-1,3,3-trimethyl-2-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]indole.
What is the SMILES notation for (2Z)-1,3,3-trimethyl-2-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]indole?
The canonical SMILES for (2Z)-1,3,3-trimethyl-2-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]indole is CN1/C(=C\C=C2\N(C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21.
What is the InChIKey of (2Z)-1,3,3-trimethyl-2-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]indole?
The InChIKey is ZCIHGSIBIABIPL-KBNZVFGVSA-N. The full InChI is InChI=1S/C24H28N2/c1-23(2)17-11-7-9-13-19(17)25(5)21(23)15-16-22-24(3,4)18-12-8-10-14-20(18)26(22)6/h7-16H,1-6H3/b21-15-,22-16+.
What are the key properties of (2Z)-1,3,3-trimethyl-2-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]indole?
(2Z)-1,3,3-trimethyl-2-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]indole has a molecular weight of 344.50 g/mol, XLogP of 5.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1,3,3-trimethyl-2-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]indole is sourced from PubChem (CID 18806794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).