2-[(1E,3E,5E,7Z)-7-(3,3-dimethyl-1H-indol-2-ylidene)hepta-1,3,5-trienyl]-3,3-dimethylindole

C27H28N2 — CID 101116695

IUPAC2-[(1E,3E,5E,7Z)-7-(3,3-dimethyl-1H-indol-2-ylidene)hepta-1,3,5-trienyl]-3,3-dimethylindole
SMILESCC1(C)C(/C=C/C=C/C=C/C=C2\Nc3ccccc3C2(C)C)=Nc2ccccc21
InChIInChI=1S/C27H28N2/c1-26(2)20-14-10-12-16-22(20)28-24(26)18-8-6-5-7-9-19-25-27(3,4)21-15-11-13-17-23(21)29-25/h5-19,28H,1-4H3/b7-5+,8-6+,19-9+,24-18-
InChIKeyGGSNCZXVFUBNOD-GIWIMMKHSA-N
MW380.54 g/mol
LogP7.01
Rot. Bonds4

About 2-[(1E,3E,5E,7Z)-7-(3,3-dimethyl-1H-indol-2-ylidene)hepta-1,3,5-trienyl]-3,3-dimethylindole

2-[(1E,3E,5E,7Z)-7-(3,3-dimethyl-1H-indol-2-ylidene)hepta-1,3,5-trienyl]-3,3-dimethylindole (PubChem CID 101116695) has the molecular formula C27H28N2 and a molecular weight of 380.54 g/mol. Its IUPAC name is 2-[(1E,3E,5E,7Z)-7-(3,3-dimethyl-1H-indol-2-ylidene)hepta-1,3,5-trienyl]-3,3-dimethylindole.

Molecular Properties

Compound Name2-[(1E,3E,5E,7Z)-7-(3,3-dimethyl-1H-indol-2-ylidene)hepta-1,3,5-trienyl]-3,3-dimethylindole
PubChem CID101116695
Molecular FormulaC27H28N2
Molecular Weight380.54 g/mol
Exact Mass380.23
IUPAC Name2-[(1E,3E,5E,7Z)-7-(3,3-dimethyl-1H-indol-2-ylidene)hepta-1,3,5-trienyl]-3,3-dimethylindole
SMILESCC1(C)C(/C=C/C=C/C=C/C=C2\Nc3ccccc3C2(C)C)=Nc2ccccc21
InChIInChI=1S/C27H28N2/c1-26(2)20-14-10-12-16-22(20)28-24(26)18-8-6-5-7-9-19-25-27(3,4)21-15-11-13-17-23(21)29-25/h5-19,28H,1-4H3/b7-5+,8-6+,19-9+,24-18-
InChIKeyGGSNCZXVFUBNOD-GIWIMMKHSA-N
XLogP7.01
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.54
LogP ≤ 57.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-[(E,3E)-3-(3,3-dimethyl-1H-indol-2-ylidene)prop-1-enyl]-3,3-dimethylindole
CID 118988971
(2E)-2-[(E)-but-2-enylidene]-3,3-dimethyl-1H-indole
CID 142032346
(5Z)-2-[(E)-(3,3-dimethyl-1H-indol-2-ylidene)methyl]-5-[(3,3-dimethylindol-2-yl)methylidene]-3,4-dioxocyclopenten-1-olate
CID 137167238
2-[(E)-2-(2-methoxyphenyl)ethenyl]-3,3-dimethylindole
CID 71656290
4-[(E)-2-(3,3-dimethylindol-2-yl)ethenyl]-N,N-diphenylaniline
CID 101369644
6-[(2E)-2-[(E)-3-(3,3-dimethylindol-2-yl)prop-2-enylidene]-3,3-dimethylindol-1-yl]hexanoic acid
CID 134426243
N-phenyl-N-[2-[2-(3,3,5-trimethylindol-2-yl)ethenyl]-5-[2-(3,3,5-trimethyl-1H-indol-2-ylidene)ethylidene]cyclopenten-1-yl]aniline
CID 59729872
(2E)-2-[(2E)-2-(3,3-dimethyl-1H-indol-2-ylidene)ethylidene]-6-[2-(3,3-dimethyl-1H-indol-2-ylidene)ethylidene]-N-methylcyclohexan-1-imine
CID 174001765
(1E,3E)-1,3-bis(3,3-dimethyl-1H-indol-2-ylidene)propan-2-one
CID 89469297
4-[4-[2-(3,3-dimethylindol-2-yl)ethenyl]-N-(4-hydroxyphenyl)anilino]phenol
CID 175895212
bis(2,3,3-trimethylindole);dihydrobromide
CID 175169971
4-(9,9-dimethyl-10H-acridin-4-yl)-9,9-dimethyl-10H-acridine
CID 122400307

Frequently Asked Questions

What is the IUPAC name of 2-[(1E,3E,5E,7Z)-7-(3,3-dimethyl-1H-indol-2-ylidene)hepta-1,3,5-trienyl]-3,3-dimethylindole?
The IUPAC name of 2-[(1E,3E,5E,7Z)-7-(3,3-dimethyl-1H-indol-2-ylidene)hepta-1,3,5-trienyl]-3,3-dimethylindole (CID 101116695) is 2-[(1E,3E,5E,7Z)-7-(3,3-dimethyl-1H-indol-2-ylidene)hepta-1,3,5-trienyl]-3,3-dimethylindole.
What is the SMILES notation for 2-[(1E,3E,5E,7Z)-7-(3,3-dimethyl-1H-indol-2-ylidene)hepta-1,3,5-trienyl]-3,3-dimethylindole?
The canonical SMILES for 2-[(1E,3E,5E,7Z)-7-(3,3-dimethyl-1H-indol-2-ylidene)hepta-1,3,5-trienyl]-3,3-dimethylindole is CC1(C)C(/C=C/C=C/C=C/C=C2\Nc3ccccc3C2(C)C)=Nc2ccccc21.
What is the InChIKey of 2-[(1E,3E,5E,7Z)-7-(3,3-dimethyl-1H-indol-2-ylidene)hepta-1,3,5-trienyl]-3,3-dimethylindole?
The InChIKey is GGSNCZXVFUBNOD-GIWIMMKHSA-N. The full InChI is InChI=1S/C27H28N2/c1-26(2)20-14-10-12-16-22(20)28-24(26)18-8-6-5-7-9-19-25-27(3,4)21-15-11-13-17-23(21)29-25/h5-19,28H,1-4H3/b7-5+,8-6+,19-9+,24-18-.
What are the key properties of 2-[(1E,3E,5E,7Z)-7-(3,3-dimethyl-1H-indol-2-ylidene)hepta-1,3,5-trienyl]-3,3-dimethylindole?
2-[(1E,3E,5E,7Z)-7-(3,3-dimethyl-1H-indol-2-ylidene)hepta-1,3,5-trienyl]-3,3-dimethylindole has a molecular weight of 380.54 g/mol, XLogP of 7.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E,3E,5E,7Z)-7-(3,3-dimethyl-1H-indol-2-ylidene)hepta-1,3,5-trienyl]-3,3-dimethylindole is sourced from PubChem (CID 101116695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).