2-[1,2-dideuterio-2-(1,1,3,3-tetramethylinden-2-ylidene)ethylidene]-1,1,3,3-tetramethylindene

C28H34 — CID 16754491

IUPAC2-[1,2-dideuterio-2-(1,1,3,3-tetramethylinden-2-ylidene)ethylidene]-1,1,3,3-tetramethylindene
SMILES[2H]C(C([2H])=C1C(C)(C)c2ccccc2C1(C)C)=C1C(C)(C)c2ccccc2C1(C)C
InChIInChI=1S/C28H34/c1-25(2)19-13-9-10-14-20(19)26(3,4)23(25)17-18-24-27(5,6)21-15-11-12-16-22(21)28(24,7)8/h9-18H,1-8H3/i17D,18D
InChIKeyILUKBWPHPHJFRJ-IUKNHUCNSA-N
MW372.59 g/mol
LogP7.38
Rot. Bonds1

About 2-[1,2-dideuterio-2-(1,1,3,3-tetramethylinden-2-ylidene)ethylidene]-1,1,3,3-tetramethylindene

2-[1,2-dideuterio-2-(1,1,3,3-tetramethylinden-2-ylidene)ethylidene]-1,1,3,3-tetramethylindene (PubChem CID 16754491) has the molecular formula C28H34 and a molecular weight of 372.59 g/mol. Its IUPAC name is 2-[1,2-dideuterio-2-(1,1,3,3-tetramethylinden-2-ylidene)ethylidene]-1,1,3,3-tetramethylindene.

Molecular Properties

Compound Name2-[1,2-dideuterio-2-(1,1,3,3-tetramethylinden-2-ylidene)ethylidene]-1,1,3,3-tetramethylindene
PubChem CID16754491
Molecular FormulaC28H34
Molecular Weight372.59 g/mol
Exact Mass372.28
IUPAC Name2-[1,2-dideuterio-2-(1,1,3,3-tetramethylinden-2-ylidene)ethylidene]-1,1,3,3-tetramethylindene
SMILES[2H]C(C([2H])=C1C(C)(C)c2ccccc2C1(C)C)=C1C(C)(C)c2ccccc2C1(C)C
InChIInChI=1S/C28H34/c1-25(2)19-13-9-10-14-20(19)26(3,4)23(25)17-18-24-27(5,6)21-15-11-12-16-22(21)28(24,7)8/h9-18H,1-8H3/i17D,18D
InChIKeyILUKBWPHPHJFRJ-IUKNHUCNSA-N
XLogP7.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.59
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-ethylidene-1,1,3,3-tetramethylindene
CID 71425228
2-diazo-1,1,3,3-tetramethylindene
CID 12732507
9,9,10-trimethyl-10-propan-2-ylanthracene
CID 177080300
9-ethyl-9,10,10-trimethylanthracene
CID 91063128
2,2,5,9,9,16,16-heptamethyltetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3(8),4,6,10,12,14,17,19-nonaene
CID 177102314
1,1,4,4-tetramethylnaphthalen-2-ol
CID 172794366
CID 140790044
CID 140790044
2,2,4,9,9,10,10-heptamethyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 177102350
1,2,3,3-tetramethylindol-1-ium chloride
CID 12524874
1,1,3,3-tetramethyl-2H-isoindole
CID 641027
10-fluoren-9-ylidene-9,9-dimethylanthracene
CID 10832973
9,9,10-trimethylacridine
CID 610451

Frequently Asked Questions

What is the IUPAC name of 2-[1,2-dideuterio-2-(1,1,3,3-tetramethylinden-2-ylidene)ethylidene]-1,1,3,3-tetramethylindene?
The IUPAC name of 2-[1,2-dideuterio-2-(1,1,3,3-tetramethylinden-2-ylidene)ethylidene]-1,1,3,3-tetramethylindene (CID 16754491) is 2-[1,2-dideuterio-2-(1,1,3,3-tetramethylinden-2-ylidene)ethylidene]-1,1,3,3-tetramethylindene.
What is the SMILES notation for 2-[1,2-dideuterio-2-(1,1,3,3-tetramethylinden-2-ylidene)ethylidene]-1,1,3,3-tetramethylindene?
The canonical SMILES for 2-[1,2-dideuterio-2-(1,1,3,3-tetramethylinden-2-ylidene)ethylidene]-1,1,3,3-tetramethylindene is [2H]C(C([2H])=C1C(C)(C)c2ccccc2C1(C)C)=C1C(C)(C)c2ccccc2C1(C)C.
What is the InChIKey of 2-[1,2-dideuterio-2-(1,1,3,3-tetramethylinden-2-ylidene)ethylidene]-1,1,3,3-tetramethylindene?
The InChIKey is ILUKBWPHPHJFRJ-IUKNHUCNSA-N. The full InChI is InChI=1S/C28H34/c1-25(2)19-13-9-10-14-20(19)26(3,4)23(25)17-18-24-27(5,6)21-15-11-12-16-22(21)28(24,7)8/h9-18H,1-8H3/i17D,18D.
What are the key properties of 2-[1,2-dideuterio-2-(1,1,3,3-tetramethylinden-2-ylidene)ethylidene]-1,1,3,3-tetramethylindene?
2-[1,2-dideuterio-2-(1,1,3,3-tetramethylinden-2-ylidene)ethylidene]-1,1,3,3-tetramethylindene has a molecular weight of 372.59 g/mol, XLogP of 7.38, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,2-dideuterio-2-(1,1,3,3-tetramethylinden-2-ylidene)ethylidene]-1,1,3,3-tetramethylindene is sourced from PubChem (CID 16754491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).