(2,4-dimethyl-4H-cyclopenta[b]naphthalen-1-yl)-(1H-inden-2-yl)-dimethylsilane

C26H26Si — CID 67039953

IUPAC(2,4-dimethyl-4H-cyclopenta[b]naphthalen-1-yl)-(1H-inden-2-yl)-dimethylsilane
SMILESCC1=C([Si](C)(C)C2=Cc3ccccc3C2)C2=Cc3ccccc3C(C)C2=C1
InChIInChI=1S/C26H26Si/c1-17-13-24-18(2)23-12-8-7-11-21(23)16-25(24)26(17)27(3,4)22-14-19-9-5-6-10-20(19)15-22/h5-14,16,18H,15H2,1-4H3
InChIKeyJFCYPDAINMIULB-UHFFFAOYSA-N
MW366.58 g/mol
LogP6.87
Rot. Bonds2

About (2,4-dimethyl-4H-cyclopenta[b]naphthalen-1-yl)-(1H-inden-2-yl)-dimethylsilane

(2,4-dimethyl-4H-cyclopenta[b]naphthalen-1-yl)-(1H-inden-2-yl)-dimethylsilane (PubChem CID 67039953) has the molecular formula C26H26Si and a molecular weight of 366.58 g/mol. Its IUPAC name is (2,4-dimethyl-4H-cyclopenta[b]naphthalen-1-yl)-(1H-inden-2-yl)-dimethylsilane.

Molecular Properties

Compound Name(2,4-dimethyl-4H-cyclopenta[b]naphthalen-1-yl)-(1H-inden-2-yl)-dimethylsilane
PubChem CID67039953
Molecular FormulaC26H26Si
Molecular Weight366.58 g/mol
Exact Mass366.18
IUPAC Name(2,4-dimethyl-4H-cyclopenta[b]naphthalen-1-yl)-(1H-inden-2-yl)-dimethylsilane
SMILESCC1=C([Si](C)(C)C2=Cc3ccccc3C2)C2=Cc3ccccc3C(C)C2=C1
InChIInChI=1S/C26H26Si/c1-17-13-24-18(2)23-12-8-7-11-21(23)16-25(24)26(17)27(3,4)22-14-19-9-5-6-10-20(19)15-22/h5-14,16,18H,15H2,1-4H3
InChIKeyJFCYPDAINMIULB-UHFFFAOYSA-N
XLogP6.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.58
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-4H-cyclopenta[b]naphthalen-1-yl)-(1H-inden-2-yl)-dimethylsilane?
The IUPAC name of (2,4-dimethyl-4H-cyclopenta[b]naphthalen-1-yl)-(1H-inden-2-yl)-dimethylsilane (CID 67039953) is (2,4-dimethyl-4H-cyclopenta[b]naphthalen-1-yl)-(1H-inden-2-yl)-dimethylsilane.
What is the SMILES notation for (2,4-dimethyl-4H-cyclopenta[b]naphthalen-1-yl)-(1H-inden-2-yl)-dimethylsilane?
The canonical SMILES for (2,4-dimethyl-4H-cyclopenta[b]naphthalen-1-yl)-(1H-inden-2-yl)-dimethylsilane is CC1=C([Si](C)(C)C2=Cc3ccccc3C2)C2=Cc3ccccc3C(C)C2=C1.
What is the InChIKey of (2,4-dimethyl-4H-cyclopenta[b]naphthalen-1-yl)-(1H-inden-2-yl)-dimethylsilane?
The InChIKey is JFCYPDAINMIULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Si/c1-17-13-24-18(2)23-12-8-7-11-21(23)16-25(24)26(17)27(3,4)22-14-19-9-5-6-10-20(19)15-22/h5-14,16,18H,15H2,1-4H3.
What are the key properties of (2,4-dimethyl-4H-cyclopenta[b]naphthalen-1-yl)-(1H-inden-2-yl)-dimethylsilane?
(2,4-dimethyl-4H-cyclopenta[b]naphthalen-1-yl)-(1H-inden-2-yl)-dimethylsilane has a molecular weight of 366.58 g/mol, XLogP of 6.87, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-4H-cyclopenta[b]naphthalen-1-yl)-(1H-inden-2-yl)-dimethylsilane is sourced from PubChem (CID 67039953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).