(2E)-2-[(3E)-2-cyclobutylidene-3-(1,3,3-trimethylindol-2-ylidene)inden-1-ylidene]-1,3,3-trimethylindole

C35H36N2 — CID 144520953

IUPAC(2E)-2-[(3E)-2-cyclobutylidene-3-(1,3,3-trimethylindol-2-ylidene)inden-1-ylidene]-1,3,3-trimethylindole
SMILESCN1/C(=C2/C(=C3CCC3)/C(=C3/N(C)c4ccccc4C3(C)C)c3ccccc32)C(C)(C)c2ccccc21
InChIInChI=1S/C35H36N2/c1-34(2)25-18-9-11-20-27(25)36(5)32(34)30-23-16-7-8-17-24(23)31(29(30)22-14-13-15-22)33-35(3,4)26-19-10-12-21-28(26)37(33)6/h7-12,16-21H,13-15H2,1-6H3/b32-30+,33-31+
InChIKeyAXKDHBZKKBGUFW-RRPBDJRISA-N
MW484.69 g/mol
LogP8.46
Rot. Bonds

About (2E)-2-[(3E)-2-cyclobutylidene-3-(1,3,3-trimethylindol-2-ylidene)inden-1-ylidene]-1,3,3-trimethylindole

(2E)-2-[(3E)-2-cyclobutylidene-3-(1,3,3-trimethylindol-2-ylidene)inden-1-ylidene]-1,3,3-trimethylindole (PubChem CID 144520953) has the molecular formula C35H36N2 and a molecular weight of 484.69 g/mol. Its IUPAC name is (2E)-2-[(3E)-2-cyclobutylidene-3-(1,3,3-trimethylindol-2-ylidene)inden-1-ylidene]-1,3,3-trimethylindole.

Molecular Properties

Compound Name(2E)-2-[(3E)-2-cyclobutylidene-3-(1,3,3-trimethylindol-2-ylidene)inden-1-ylidene]-1,3,3-trimethylindole
PubChem CID144520953
Molecular FormulaC35H36N2
Molecular Weight484.69 g/mol
Exact Mass484.29
IUPAC Name(2E)-2-[(3E)-2-cyclobutylidene-3-(1,3,3-trimethylindol-2-ylidene)inden-1-ylidene]-1,3,3-trimethylindole
SMILESCN1/C(=C2/C(=C3CCC3)/C(=C3/N(C)c4ccccc4C3(C)C)c3ccccc32)C(C)(C)c2ccccc21
InChIInChI=1S/C35H36N2/c1-34(2)25-18-9-11-20-27(25)36(5)32(34)30-23-16-7-8-17-24(23)31(29(30)22-14-13-15-22)33-35(3,4)26-19-10-12-21-28(26)37(33)6/h7-12,16-21H,13-15H2,1-6H3/b32-30+,33-31+
InChIKeyAXKDHBZKKBGUFW-RRPBDJRISA-N
XLogP8.46
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.69
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2E)-2-[(3E)-2-cyclobutylidene-3-(1,3,3-trimethylindol-2-ylidene)inden-1-ylidene]-1,3,3-trimethylindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1E,3E)-1,3-bis(1,3,3-trimethylindol-2-ylidene)inden-2-one
CID 143781851
9,9,10-trimethylacridine
CID 610451
(3E)-1-(1,3,3-trimethyl-2H-indol-2-yl)-3-(1,3,3-trimethylindol-2-ylidene)-1H-inden-2-one
CID 143865159
(3S,4E)-N,N-diethyl-2-methyl-3-sulfanylidene-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3λ5-diazaphosphol-3-amine
CID 11913499
(2Z)-1,3,3-trimethyl-2-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]indole
CID 18806794
(1E,3E)-1,3-bis(1-butyl-3,3-dimethylindol-2-ylidene)inden-2-one
CID 59869602
(3R,4E)-2-phenyl-3-pyrrolidin-1-yl-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3λ5-diazaphosphole 3-oxide
CID 11864773
(4Z)-2-phenyl-3-pyrrolidin-1-yl-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3lambda5-diazaphosphole 3-oxide
CID 2317389
(3S)-3-(cyclohexen-1-yl)-1,3-dimethylindol-2-one
CID 134964012
10,10,14,14,15,15,22-heptamethyl-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1(13),2,4,6,8,11,16,18,20-nonaene
CID 58184992
(2E,6E)-2,6-bis(1-butyl-3,3-dimethylindol-2-ylidene)cyclohexan-1-one
CID 58659962
4-[2-methyl-3-sulfanylidene-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3lambda5-diazaphosphol-3-yl]morpholine
CID 3298463

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(3E)-2-cyclobutylidene-3-(1,3,3-trimethylindol-2-ylidene)inden-1-ylidene]-1,3,3-trimethylindole?
The IUPAC name of (2E)-2-[(3E)-2-cyclobutylidene-3-(1,3,3-trimethylindol-2-ylidene)inden-1-ylidene]-1,3,3-trimethylindole (CID 144520953) is (2E)-2-[(3E)-2-cyclobutylidene-3-(1,3,3-trimethylindol-2-ylidene)inden-1-ylidene]-1,3,3-trimethylindole.
What is the SMILES notation for (2E)-2-[(3E)-2-cyclobutylidene-3-(1,3,3-trimethylindol-2-ylidene)inden-1-ylidene]-1,3,3-trimethylindole?
The canonical SMILES for (2E)-2-[(3E)-2-cyclobutylidene-3-(1,3,3-trimethylindol-2-ylidene)inden-1-ylidene]-1,3,3-trimethylindole is CN1/C(=C2/C(=C3CCC3)/C(=C3/N(C)c4ccccc4C3(C)C)c3ccccc32)C(C)(C)c2ccccc21.
What is the InChIKey of (2E)-2-[(3E)-2-cyclobutylidene-3-(1,3,3-trimethylindol-2-ylidene)inden-1-ylidene]-1,3,3-trimethylindole?
The InChIKey is AXKDHBZKKBGUFW-RRPBDJRISA-N. The full InChI is InChI=1S/C35H36N2/c1-34(2)25-18-9-11-20-27(25)36(5)32(34)30-23-16-7-8-17-24(23)31(29(30)22-14-13-15-22)33-35(3,4)26-19-10-12-21-28(26)37(33)6/h7-12,16-21H,13-15H2,1-6H3/b32-30+,33-31+.
What are the key properties of (2E)-2-[(3E)-2-cyclobutylidene-3-(1,3,3-trimethylindol-2-ylidene)inden-1-ylidene]-1,3,3-trimethylindole?
(2E)-2-[(3E)-2-cyclobutylidene-3-(1,3,3-trimethylindol-2-ylidene)inden-1-ylidene]-1,3,3-trimethylindole has a molecular weight of 484.69 g/mol, XLogP of 8.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(3E)-2-cyclobutylidene-3-(1,3,3-trimethylindol-2-ylidene)inden-1-ylidene]-1,3,3-trimethylindole is sourced from PubChem (CID 144520953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).