[1-cyclopenta-1,3-dien-1-yl-2,5-bis(trimethylsilyl)-9H-fluoren-3-yl]-trimethylsilane

C27H38Si3 — CID 87109962

IUPAC[1-cyclopenta-1,3-dien-1-yl-2,5-bis(trimethylsilyl)-9H-fluoren-3-yl]-trimethylsilane
SMILESC[Si](C)(C)c1cccc2c1-c1cc([Si](C)(C)C)c([Si](C)(C)C)c(C3=CC=CC3)c1C2
InChIInChI=1S/C27H38Si3/c1-28(2,3)23-16-12-15-20-17-21-22(25(20)23)18-24(29(4,5)6)27(30(7,8)9)26(21)19-13-10-11-14-19/h10-13,15-16,18H,14,17H2,1-9H3
InChIKeyRNBYZYFTXCESNR-UHFFFAOYSA-N
MW446.86 g/mol
LogP6.24
Rot. Bonds4

About [1-cyclopenta-1,3-dien-1-yl-2,5-bis(trimethylsilyl)-9H-fluoren-3-yl]-trimethylsilane

[1-cyclopenta-1,3-dien-1-yl-2,5-bis(trimethylsilyl)-9H-fluoren-3-yl]-trimethylsilane (PubChem CID 87109962) has the molecular formula C27H38Si3 and a molecular weight of 446.86 g/mol. Its IUPAC name is [1-cyclopenta-1,3-dien-1-yl-2,5-bis(trimethylsilyl)-9H-fluoren-3-yl]-trimethylsilane.

Molecular Properties

Compound Name[1-cyclopenta-1,3-dien-1-yl-2,5-bis(trimethylsilyl)-9H-fluoren-3-yl]-trimethylsilane
PubChem CID87109962
Molecular FormulaC27H38Si3
Molecular Weight446.86 g/mol
Exact Mass446.23
IUPAC Name[1-cyclopenta-1,3-dien-1-yl-2,5-bis(trimethylsilyl)-9H-fluoren-3-yl]-trimethylsilane
SMILESC[Si](C)(C)c1cccc2c1-c1cc([Si](C)(C)C)c([Si](C)(C)C)c(C3=CC=CC3)c1C2
InChIInChI=1S/C27H38Si3/c1-28(2,3)23-16-12-15-20-17-21-22(25(20)23)18-24(29(4,5)6)27(30(7,8)9)26(21)19-13-10-11-14-19/h10-13,15-16,18H,14,17H2,1-9H3
InChIKeyRNBYZYFTXCESNR-UHFFFAOYSA-N
XLogP6.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.86
LogP ≤ 56.24
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 [1-cyclopenta-1,3-dien-1-yl-2,5-bis(trimethylsilyl)-9H-fluoren-3-yl]-trimethylsilane?
The IUPAC name of [1-cyclopenta-1,3-dien-1-yl-2,5-bis(trimethylsilyl)-9H-fluoren-3-yl]-trimethylsilane (CID 87109962) is [1-cyclopenta-1,3-dien-1-yl-2,5-bis(trimethylsilyl)-9H-fluoren-3-yl]-trimethylsilane.
What is the SMILES notation for [1-cyclopenta-1,3-dien-1-yl-2,5-bis(trimethylsilyl)-9H-fluoren-3-yl]-trimethylsilane?
The canonical SMILES for [1-cyclopenta-1,3-dien-1-yl-2,5-bis(trimethylsilyl)-9H-fluoren-3-yl]-trimethylsilane is C[Si](C)(C)c1cccc2c1-c1cc([Si](C)(C)C)c([Si](C)(C)C)c(C3=CC=CC3)c1C2.
What is the InChIKey of [1-cyclopenta-1,3-dien-1-yl-2,5-bis(trimethylsilyl)-9H-fluoren-3-yl]-trimethylsilane?
The InChIKey is RNBYZYFTXCESNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38Si3/c1-28(2,3)23-16-12-15-20-17-21-22(25(20)23)18-24(29(4,5)6)27(30(7,8)9)26(21)19-13-10-11-14-19/h10-13,15-16,18H,14,17H2,1-9H3.
What are the key properties of [1-cyclopenta-1,3-dien-1-yl-2,5-bis(trimethylsilyl)-9H-fluoren-3-yl]-trimethylsilane?
[1-cyclopenta-1,3-dien-1-yl-2,5-bis(trimethylsilyl)-9H-fluoren-3-yl]-trimethylsilane has a molecular weight of 446.86 g/mol, XLogP of 6.24, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cyclopenta-1,3-dien-1-yl-2,5-bis(trimethylsilyl)-9H-fluoren-3-yl]-trimethylsilane is sourced from PubChem (CID 87109962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).