(2E)-5-chloro-2-[(2Z,4E)-3-chloro-7-(5-chloro-2-methylphenyl)-7-methyl-6-methylideneocta-2,4-dienylidene]-1,3,3-trimethylindole

C28H30Cl3N — CID 122536775

IUPAC(2E)-5-chloro-2-[(2Z,4E)-3-chloro-7-(5-chloro-2-methylphenyl)-7-methyl-6-methylideneocta-2,4-dienylidene]-1,3,3-trimethylindole
SMILESC=C(/C=C/C(Cl)=C/C=C1/N(C)c2ccc(Cl)cc2C1(C)C)C(C)(C)c1cc(Cl)ccc1C
InChIInChI=1S/C28H30Cl3N/c1-18-8-10-21(30)16-23(18)27(3,4)19(2)9-11-20(29)13-15-26-28(5,6)24-17-22(31)12-14-25(24)32(26)7/h8-17H,2H2,1,3-7H3/b11-9+,20-13-,26-15+
InChIKeyKEIYVTXHGIKZGT-YQHDNTIOSA-N
MW486.91 g/mol
LogP9.13
Rot. Bonds5

About (2E)-5-chloro-2-[(2Z,4E)-3-chloro-7-(5-chloro-2-methylphenyl)-7-methyl-6-methylideneocta-2,4-dienylidene]-1,3,3-trimethylindole

(2E)-5-chloro-2-[(2Z,4E)-3-chloro-7-(5-chloro-2-methylphenyl)-7-methyl-6-methylideneocta-2,4-dienylidene]-1,3,3-trimethylindole (PubChem CID 122536775) has the molecular formula C28H30Cl3N and a molecular weight of 486.91 g/mol. Its IUPAC name is (2E)-5-chloro-2-[(2Z,4E)-3-chloro-7-(5-chloro-2-methylphenyl)-7-methyl-6-methylideneocta-2,4-dienylidene]-1,3,3-trimethylindole.

Molecular Properties

Compound Name(2E)-5-chloro-2-[(2Z,4E)-3-chloro-7-(5-chloro-2-methylphenyl)-7-methyl-6-methylideneocta-2,4-dienylidene]-1,3,3-trimethylindole
PubChem CID122536775
Molecular FormulaC28H30Cl3N
Molecular Weight486.91 g/mol
Exact Mass485.14
IUPAC Name(2E)-5-chloro-2-[(2Z,4E)-3-chloro-7-(5-chloro-2-methylphenyl)-7-methyl-6-methylideneocta-2,4-dienylidene]-1,3,3-trimethylindole
SMILESC=C(/C=C/C(Cl)=C/C=C1/N(C)c2ccc(Cl)cc2C1(C)C)C(C)(C)c1cc(Cl)ccc1C
InChIInChI=1S/C28H30Cl3N/c1-18-8-10-21(30)16-23(18)27(3,4)19(2)9-11-20(29)13-15-26-28(5,6)24-17-22(31)12-14-25(24)32(26)7/h8-17H,2H2,1,3-7H3/b11-9+,20-13-,26-15+
InChIKeyKEIYVTXHGIKZGT-YQHDNTIOSA-N
XLogP9.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.91
LogP ≤ 59.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(2E)-5-chloro-2-[(2E)-2-[3-[(E)-4-(5-chloro-2-methylphenyl)-4-methyl-3-methylidenepent-1-enyl]-2-(N-phenylanilino)cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]ethanol
CID 90154526
(2E)-1,3,3-trimethyl-2-[(2Z,4E)-7-methyl-6-methylidene-7-(2-methylphenyl)-3-pyridin-4-ylocta-2,4-dienylidene]indole
CID 122536687
N-[(5E)-2-[(E)-4-(5-chloro-2-methylphenyl)-3,4-dimethylpent-1-enyl]-5-[(2E)-2-(5-chloro-1,3,3-trimethylindol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline
CID 139298021
(2E)-2-[(2Z,4E)-3-chloro-5-[1,3,3-trimethyl-5-(trifluoromethyl)indol-1-ium-2-yl]penta-2,4-dienylidene]-1,3,3-trimethyl-5-(trifluoromethyl)indole iodide
CID 162534589
(2E)-2-[(2Z,4E)-3-chloro-5-(5-methoxy-1,3,3-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]-5-methoxy-1,3,3-trimethylindole
CID 122534571
(2E)-5-bromo-2-[(2E,4E,6E)-9-(5-bromo-2-methylphenyl)-9-methyl-8-methylidenedeca-2,4,6-trienylidene]-3,3-dimethyl-1-(3-phenylpropyl)indole
CID 122536750
3-[(2E)-3,3-dimethyl-2-[(2Z,4E)-7-methyl-6-methylidene-7-(2-methyl-5-sulfophenyl)-3-pyridin-4-ylocta-2,4-dienylidene]-5-sulfoindol-1-yl]propyl-trimethylazanium
CID 122536751
[(2E,5E)-2-[(2E)-2-(5-chloro-1,3,3-trimethylindol-2-ylidene)ethylidene]-5-[(2E)-2-(1,3,3,5-tetramethylindol-2-ylidene)ethylidene]cyclopentylidene]-diphenylazanium
CID 89449444
bis(4-bromophenyl)-[(2E)-2-[(2E)-2-(5-chloro-1,3,3-trimethylindol-2-ylidene)ethylidene]-5-[2-(5-chloro-1,3,3-trimethylindol-2-ylidene)ethylidene]cyclopentylidene]azanium
CID 162181155
5-chloro-2-[(2E)-2-[3-[2-(5-chloro-1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-2-methylcyclopent-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole
CID 59951550
(2Z)-2-[(2Z,4E)-3-bromo-7-methyl-6-methylidene-7-(2-methylphenyl)octa-2,4-dienylidene]-1-butyl-3,3-dimethylindole
CID 122536647
3-[4-[(1E,2Z,4E)-1-(1-butyl-3,3-dimethyl-5-sulfoindol-2-ylidene)-7-methyl-6-methylidene-7-(2-methyl-5-sulfophenyl)octa-2,4-dien-3-yl]phenyl]propanoic acid
CID 122536790

Frequently Asked Questions

What is the IUPAC name of (2E)-5-chloro-2-[(2Z,4E)-3-chloro-7-(5-chloro-2-methylphenyl)-7-methyl-6-methylideneocta-2,4-dienylidene]-1,3,3-trimethylindole?
The IUPAC name of (2E)-5-chloro-2-[(2Z,4E)-3-chloro-7-(5-chloro-2-methylphenyl)-7-methyl-6-methylideneocta-2,4-dienylidene]-1,3,3-trimethylindole (CID 122536775) is (2E)-5-chloro-2-[(2Z,4E)-3-chloro-7-(5-chloro-2-methylphenyl)-7-methyl-6-methylideneocta-2,4-dienylidene]-1,3,3-trimethylindole.
What is the SMILES notation for (2E)-5-chloro-2-[(2Z,4E)-3-chloro-7-(5-chloro-2-methylphenyl)-7-methyl-6-methylideneocta-2,4-dienylidene]-1,3,3-trimethylindole?
The canonical SMILES for (2E)-5-chloro-2-[(2Z,4E)-3-chloro-7-(5-chloro-2-methylphenyl)-7-methyl-6-methylideneocta-2,4-dienylidene]-1,3,3-trimethylindole is C=C(/C=C/C(Cl)=C/C=C1/N(C)c2ccc(Cl)cc2C1(C)C)C(C)(C)c1cc(Cl)ccc1C.
What is the InChIKey of (2E)-5-chloro-2-[(2Z,4E)-3-chloro-7-(5-chloro-2-methylphenyl)-7-methyl-6-methylideneocta-2,4-dienylidene]-1,3,3-trimethylindole?
The InChIKey is KEIYVTXHGIKZGT-YQHDNTIOSA-N. The full InChI is InChI=1S/C28H30Cl3N/c1-18-8-10-21(30)16-23(18)27(3,4)19(2)9-11-20(29)13-15-26-28(5,6)24-17-22(31)12-14-25(24)32(26)7/h8-17H,2H2,1,3-7H3/b11-9+,20-13-,26-15+.
What are the key properties of (2E)-5-chloro-2-[(2Z,4E)-3-chloro-7-(5-chloro-2-methylphenyl)-7-methyl-6-methylideneocta-2,4-dienylidene]-1,3,3-trimethylindole?
(2E)-5-chloro-2-[(2Z,4E)-3-chloro-7-(5-chloro-2-methylphenyl)-7-methyl-6-methylideneocta-2,4-dienylidene]-1,3,3-trimethylindole has a molecular weight of 486.91 g/mol, XLogP of 9.13, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5-chloro-2-[(2Z,4E)-3-chloro-7-(5-chloro-2-methylphenyl)-7-methyl-6-methylideneocta-2,4-dienylidene]-1,3,3-trimethylindole is sourced from PubChem (CID 122536775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).