1-[(2Z)-2-(2-iodoethylidene)-3,3-dimethyl-1-prop-2-enylideneinden-5-yl]-2,3-dihydronaphthalene

C26H25I — CID 173487010

IUPAC1-[(2Z)-2-(2-iodoethylidene)-3,3-dimethyl-1-prop-2-enylideneinden-5-yl]-2,3-dihydronaphthalene
SMILESC=CC=C1/C(=C\CI)C(C)(C)c2cc(C3=c4ccccc4=CCC3)ccc21
InChIInChI=1S/C26H25I/c1-4-8-22-23-14-13-19(17-25(23)26(2,3)24(22)15-16-27)21-12-7-10-18-9-5-6-11-20(18)21/h4-6,8-11,13-15,17H,1,7,12,16H2,2-3H3/b22-8?,24-15+
InChIKeyKBIVUTIIKKSOPD-OTDBWDRKSA-N
MW464.39 g/mol
LogP5.68
Rot. Bonds3

About 1-[(2Z)-2-(2-iodoethylidene)-3,3-dimethyl-1-prop-2-enylideneinden-5-yl]-2,3-dihydronaphthalene

1-[(2Z)-2-(2-iodoethylidene)-3,3-dimethyl-1-prop-2-enylideneinden-5-yl]-2,3-dihydronaphthalene (PubChem CID 173487010) has the molecular formula C26H25I and a molecular weight of 464.39 g/mol. Its IUPAC name is 1-[(2Z)-2-(2-iodoethylidene)-3,3-dimethyl-1-prop-2-enylideneinden-5-yl]-2,3-dihydronaphthalene.

Molecular Properties

Compound Name1-[(2Z)-2-(2-iodoethylidene)-3,3-dimethyl-1-prop-2-enylideneinden-5-yl]-2,3-dihydronaphthalene
PubChem CID173487010
Molecular FormulaC26H25I
Molecular Weight464.39 g/mol
Exact Mass464.10
IUPAC Name1-[(2Z)-2-(2-iodoethylidene)-3,3-dimethyl-1-prop-2-enylideneinden-5-yl]-2,3-dihydronaphthalene
SMILESC=CC=C1/C(=C\CI)C(C)(C)c2cc(C3=c4ccccc4=CCC3)ccc21
InChIInChI=1S/C26H25I/c1-4-8-22-23-14-13-19(17-25(23)26(2,3)24(22)15-16-27)21-12-7-10-18-9-5-6-11-20(18)21/h4-6,8-11,13-15,17H,1,7,12,16H2,2-3H3/b22-8?,24-15+
InChIKeyKBIVUTIIKKSOPD-OTDBWDRKSA-N
XLogP5.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.39
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[(2Z)-2-(2-iodoethylidene)-3,3-dimethyl-1-propylideneinden-5-yl]naphthalene
CID 173486134
(2Z)-6-iodo-1,1-dimethyl-3-prop-2-enylidene-2-propylideneindene
CID 173486701
9-(2,3-dihydronaphthalen-1-yl)-10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracene
CID 153275934
5-[(2Z)-1-ethylidene-2-(2-iodoethylidene)-3,3-dimethylinden-5-yl]-1,2-dihydronaphthalene
CID 173486990
9-[(2Z)-2-[(3E)-1,1-dimethyl-6-naphthalen-1-yl-3-prop-2-enylideneinden-2-ylidene]ethyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 145280720
2-[(2Z)-3,3-dimethyl-1-methylidene-2-prop-2-enylideneinden-5-yl]-9,9-dimethylfluorene
CID 59027683
6-N-(5,6-dihydronaphthalen-2-yl)-9-[4-(2,3-dihydronaphthalen-1-yl)phenyl]-10-(9,9-dimethylfluoren-2-yl)-2-N,2-N,6-N-trinaphthalen-2-ylanthracene-2,6-diamine
CID 89061121
4-[(1E)-3,3-dimethyl-2-methylidene-1-prop-2-enylideneinden-5-yl]pyridine
CID 144604812
7-[4-(9,9-dimethyl-6,7-dihydrofluoren-2-yl)-2,3-bis(ethenyl)naphthalen-1-yl]-9,9-dimethyl-2,3-dihydrofluorene
CID 145093522
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-(8-phenyl-2,3-dihydronaphthalen-1-yl)aniline
CID 170303502
9,9-dimethylfluorene;ethane;N-[(E)-[(3Z)-1-[(3E)-hepta-1,3-dien-4-yl]-1-phenyl-3-prop-2-enylideneinden-2-ylidene]methyl]spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-amine
CID 145412908
2-(3,5-diphenylphenyl)-7-[4-[7-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluorene
CID 58880913

Frequently Asked Questions

What is the IUPAC name of 1-[(2Z)-2-(2-iodoethylidene)-3,3-dimethyl-1-prop-2-enylideneinden-5-yl]-2,3-dihydronaphthalene?
The IUPAC name of 1-[(2Z)-2-(2-iodoethylidene)-3,3-dimethyl-1-prop-2-enylideneinden-5-yl]-2,3-dihydronaphthalene (CID 173487010) is 1-[(2Z)-2-(2-iodoethylidene)-3,3-dimethyl-1-prop-2-enylideneinden-5-yl]-2,3-dihydronaphthalene.
What is the SMILES notation for 1-[(2Z)-2-(2-iodoethylidene)-3,3-dimethyl-1-prop-2-enylideneinden-5-yl]-2,3-dihydronaphthalene?
The canonical SMILES for 1-[(2Z)-2-(2-iodoethylidene)-3,3-dimethyl-1-prop-2-enylideneinden-5-yl]-2,3-dihydronaphthalene is C=CC=C1/C(=C\CI)C(C)(C)c2cc(C3=c4ccccc4=CCC3)ccc21.
What is the InChIKey of 1-[(2Z)-2-(2-iodoethylidene)-3,3-dimethyl-1-prop-2-enylideneinden-5-yl]-2,3-dihydronaphthalene?
The InChIKey is KBIVUTIIKKSOPD-OTDBWDRKSA-N. The full InChI is InChI=1S/C26H25I/c1-4-8-22-23-14-13-19(17-25(23)26(2,3)24(22)15-16-27)21-12-7-10-18-9-5-6-11-20(18)21/h4-6,8-11,13-15,17H,1,7,12,16H2,2-3H3/b22-8?,24-15+.
What are the key properties of 1-[(2Z)-2-(2-iodoethylidene)-3,3-dimethyl-1-prop-2-enylideneinden-5-yl]-2,3-dihydronaphthalene?
1-[(2Z)-2-(2-iodoethylidene)-3,3-dimethyl-1-prop-2-enylideneinden-5-yl]-2,3-dihydronaphthalene has a molecular weight of 464.39 g/mol, XLogP of 5.68, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z)-2-(2-iodoethylidene)-3,3-dimethyl-1-prop-2-enylideneinden-5-yl]-2,3-dihydronaphthalene is sourced from PubChem (CID 173487010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).