5-[(2Z)-1-ethylidene-2-(2-iodoethylidene)-3,3-dimethylinden-5-yl]-1,2-dihydronaphthalene

C25H25I — CID 173486990

IUPAC5-[(2Z)-1-ethylidene-2-(2-iodoethylidene)-3,3-dimethylinden-5-yl]-1,2-dihydronaphthalene
SMILESCC=C1/C(=C\CI)C(C)(C)c2cc(-c3cccc4c3C=CCC4)ccc21
InChIInChI=1S/C25H25I/c1-4-19-22-13-12-18(16-24(22)25(2,3)23(19)14-15-26)21-11-7-9-17-8-5-6-10-20(17)21/h4,6-7,9-14,16H,5,8,15H2,1-3H3/b19-4?,23-14+
InChIKeyBFVQVKBLQBKBJV-CRGMIXLYSA-N
MW452.38 g/mol
LogP7.37
Rot. Bonds2

About 5-[(2Z)-1-ethylidene-2-(2-iodoethylidene)-3,3-dimethylinden-5-yl]-1,2-dihydronaphthalene

5-[(2Z)-1-ethylidene-2-(2-iodoethylidene)-3,3-dimethylinden-5-yl]-1,2-dihydronaphthalene (PubChem CID 173486990) has the molecular formula C25H25I and a molecular weight of 452.38 g/mol. Its IUPAC name is 5-[(2Z)-1-ethylidene-2-(2-iodoethylidene)-3,3-dimethylinden-5-yl]-1,2-dihydronaphthalene.

Molecular Properties

Compound Name5-[(2Z)-1-ethylidene-2-(2-iodoethylidene)-3,3-dimethylinden-5-yl]-1,2-dihydronaphthalene
PubChem CID173486990
Molecular FormulaC25H25I
Molecular Weight452.38 g/mol
Exact Mass452.10
IUPAC Name5-[(2Z)-1-ethylidene-2-(2-iodoethylidene)-3,3-dimethylinden-5-yl]-1,2-dihydronaphthalene
SMILESCC=C1/C(=C\CI)C(C)(C)c2cc(-c3cccc4c3C=CCC4)ccc21
InChIInChI=1S/C25H25I/c1-4-19-22-13-12-18(16-24(22)25(2,3)23(19)14-15-26)21-11-7-9-17-8-5-6-10-20(17)21/h4,6-7,9-14,16H,5,8,15H2,1-3H3/b19-4?,23-14+
InChIKeyBFVQVKBLQBKBJV-CRGMIXLYSA-N
XLogP7.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.38
LogP ≤ 57.37
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

5-[(2Z)-1-ethylidene-2-(2-iodobutylidene)-3,3-dimethylinden-5-yl]-1,2-dihydronaphthalene
CID 173487005
2-[(2Z)-2-(2-iodoethylidene)-3,3-dimethyl-1-propylideneinden-5-yl]naphthalene
CID 173486134
1-[(2Z)-2-(2-iodoethylidene)-3,3-dimethyl-1-prop-2-enylideneinden-5-yl]-2,3-dihydronaphthalene
CID 173487010
2-[22-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-5,5,15,15,25,25-hexamethyl-8-heptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaenyl]-6,7-dihydro-1,3-benzothiazole;ethane
CID 143754600
N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 145390533
2-(5,6-dihydronaphthalen-2-yl)-7-iodo-9,9-dimethylfluorene
CID 70999827
3-[3-(5,6-dihydronaphthalen-1-yl)phenyl]-N-[4-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 170022525
N-[4-[7-(9,9-dimethylfluoren-2-yl)-3,4,10-triphenyltriphenylen-1-yl]phenyl]-N-phenyl-5,6-dihydronaphthalen-1-amine
CID 89083660
1-[4-[10-(9H-fluoren-3-yl)anthracen-9-yl]phenyl]-11,11-dimethyl-8,9-dihydrobenzo[b]fluorene
CID 144802928
4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)pyrimidine
CID 166977802
16-(9,9-dimethylfluoren-2-yl)-8,8-dimethylpentacyclo[11.8.2.02,7.09,23.014,19]tricosa-2(7),5,9,11,13(23),14(19),15,17-octaene
CID 90761050
N-(4-tert-butylphenyl)-N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine
CID 70886023

Frequently Asked Questions

What is the IUPAC name of 5-[(2Z)-1-ethylidene-2-(2-iodoethylidene)-3,3-dimethylinden-5-yl]-1,2-dihydronaphthalene?
The IUPAC name of 5-[(2Z)-1-ethylidene-2-(2-iodoethylidene)-3,3-dimethylinden-5-yl]-1,2-dihydronaphthalene (CID 173486990) is 5-[(2Z)-1-ethylidene-2-(2-iodoethylidene)-3,3-dimethylinden-5-yl]-1,2-dihydronaphthalene.
What is the SMILES notation for 5-[(2Z)-1-ethylidene-2-(2-iodoethylidene)-3,3-dimethylinden-5-yl]-1,2-dihydronaphthalene?
The canonical SMILES for 5-[(2Z)-1-ethylidene-2-(2-iodoethylidene)-3,3-dimethylinden-5-yl]-1,2-dihydronaphthalene is CC=C1/C(=C\CI)C(C)(C)c2cc(-c3cccc4c3C=CCC4)ccc21.
What is the InChIKey of 5-[(2Z)-1-ethylidene-2-(2-iodoethylidene)-3,3-dimethylinden-5-yl]-1,2-dihydronaphthalene?
The InChIKey is BFVQVKBLQBKBJV-CRGMIXLYSA-N. The full InChI is InChI=1S/C25H25I/c1-4-19-22-13-12-18(16-24(22)25(2,3)23(19)14-15-26)21-11-7-9-17-8-5-6-10-20(17)21/h4,6-7,9-14,16H,5,8,15H2,1-3H3/b19-4?,23-14+.
What are the key properties of 5-[(2Z)-1-ethylidene-2-(2-iodoethylidene)-3,3-dimethylinden-5-yl]-1,2-dihydronaphthalene?
5-[(2Z)-1-ethylidene-2-(2-iodoethylidene)-3,3-dimethylinden-5-yl]-1,2-dihydronaphthalene has a molecular weight of 452.38 g/mol, XLogP of 7.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2Z)-1-ethylidene-2-(2-iodoethylidene)-3,3-dimethylinden-5-yl]-1,2-dihydronaphthalene is sourced from PubChem (CID 173486990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).