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

C22H22N2 — CID 14420631

IUPAC(2E)-1,3,3-trimethyl-2-[(2Z)-2-(2-methylindol-3-ylidene)ethylidene]indole
SMILESCC1=Nc2ccccc2/C1=C/C=C1/N(C)c2ccccc2C1(C)C
InChIInChI=1S/C22H22N2/c1-15-16(17-9-5-7-11-19(17)23-15)13-14-21-22(2,3)18-10-6-8-12-20(18)24(21)4/h5-14H,1-4H3/b16-13+,21-14+
InChIKeyHGBBCDZXYIAFHO-PDHZICCSSA-N
MW314.43 g/mol
LogP5.49
Rot. Bonds1

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

(2E)-1,3,3-trimethyl-2-[(2Z)-2-(2-methylindol-3-ylidene)ethylidene]indole (PubChem CID 14420631) has the molecular formula C22H22N2 and a molecular weight of 314.43 g/mol. Its IUPAC name is (2E)-1,3,3-trimethyl-2-[(2Z)-2-(2-methylindol-3-ylidene)ethylidene]indole.

Molecular Properties

Compound Name(2E)-1,3,3-trimethyl-2-[(2Z)-2-(2-methylindol-3-ylidene)ethylidene]indole
PubChem CID14420631
Molecular FormulaC22H22N2
Molecular Weight314.43 g/mol
Exact Mass314.18
IUPAC Name(2E)-1,3,3-trimethyl-2-[(2Z)-2-(2-methylindol-3-ylidene)ethylidene]indole
SMILESCC1=Nc2ccccc2/C1=C/C=C1/N(C)c2ccccc2C1(C)C
InChIInChI=1S/C22H22N2/c1-15-16(17-9-5-7-11-19(17)23-15)13-14-21-22(2,3)18-10-6-8-12-20(18)24(21)4/h5-14H,1-4H3/b16-13+,21-14+
InChIKeyHGBBCDZXYIAFHO-PDHZICCSSA-N
XLogP5.49
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.43
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2Z)-1,3,3-trimethyl-2-[(2Z)-2-(2-methylindol-3-ylidene)ethylidene]indole-5-carboxylate
CID 129348206
methyl (2Z)-1,3,3-trimethyl-2-[(2E)-2-(2-methylindol-3-ylidene)ethylidene]indole-5-carboxylate
CID 129348207
(2Z)-1,3,3-trimethyl-2-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]indole
CID 18806794
2,5-dimethyl-4-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]pyrazol-3-one
CID 54402595
1,2-diphenyl-4-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]pyrazolidine-3,5-dione
CID 58473494
dimethyl-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]azanium
CID 18526952
(5E)-1,4-dimethyl-2,6-dioxo-5-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]pyridine-3-carbonitrile
CID 58473455
1,3,3-trimethyl-2-[5-(1,1,3-trimethylinden-2-yl)penta-2,4-dienylidene]indole
CID 59954019
1,3,3-trimethyl-2-[7-(1,1,3-trimethylinden-2-yl)hepta-2,4,6-trienylidene]indole
CID 59902058
(2Z)-2-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-3,4-dihydronaphthalen-1-one
CID 96883024
2-[(2E)-2-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-3H-inden-1-ylidene]propanedinitrile
CID 44669364
10-[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]iminophenanthren-9-one
CID 101199233

Frequently Asked Questions

What is the IUPAC name of (2E)-1,3,3-trimethyl-2-[(2Z)-2-(2-methylindol-3-ylidene)ethylidene]indole?
The IUPAC name of (2E)-1,3,3-trimethyl-2-[(2Z)-2-(2-methylindol-3-ylidene)ethylidene]indole (CID 14420631) is (2E)-1,3,3-trimethyl-2-[(2Z)-2-(2-methylindol-3-ylidene)ethylidene]indole.
What is the SMILES notation for (2E)-1,3,3-trimethyl-2-[(2Z)-2-(2-methylindol-3-ylidene)ethylidene]indole?
The canonical SMILES for (2E)-1,3,3-trimethyl-2-[(2Z)-2-(2-methylindol-3-ylidene)ethylidene]indole is CC1=Nc2ccccc2/C1=C/C=C1/N(C)c2ccccc2C1(C)C.
What is the InChIKey of (2E)-1,3,3-trimethyl-2-[(2Z)-2-(2-methylindol-3-ylidene)ethylidene]indole?
The InChIKey is HGBBCDZXYIAFHO-PDHZICCSSA-N. The full InChI is InChI=1S/C22H22N2/c1-15-16(17-9-5-7-11-19(17)23-15)13-14-21-22(2,3)18-10-6-8-12-20(18)24(21)4/h5-14H,1-4H3/b16-13+,21-14+.
What are the key properties of (2E)-1,3,3-trimethyl-2-[(2Z)-2-(2-methylindol-3-ylidene)ethylidene]indole?
(2E)-1,3,3-trimethyl-2-[(2Z)-2-(2-methylindol-3-ylidene)ethylidene]indole has a molecular weight of 314.43 g/mol, XLogP of 5.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1,3,3-trimethyl-2-[(2Z)-2-(2-methylindol-3-ylidene)ethylidene]indole is sourced from PubChem (CID 14420631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).