(2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-9H-fluoren-3-yl)-trimethylsilane

C29H38Si — CID 87110240

IUPAC(2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-9H-fluoren-3-yl)-trimethylsilane
SMILESCC(C)(C)c1ccc2c(c1)Cc1c-2cc([Si](C)(C)C)c(C(C)(C)C)c1C1=CC=CC1
InChIInChI=1S/C29H38Si/c1-28(2,3)21-14-15-22-20(16-21)17-24-23(22)18-25(30(7,8)9)27(29(4,5)6)26(24)19-12-10-11-13-19/h10-12,14-16,18H,13,17H2,1-9H3
InChIKeyIDNSFSBYDSAMNO-UHFFFAOYSA-N
MW414.71 g/mol
LogP7.74
Rot. Bonds2

About (2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-9H-fluoren-3-yl)-trimethylsilane

(2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-9H-fluoren-3-yl)-trimethylsilane (PubChem CID 87110240) has the molecular formula C29H38Si and a molecular weight of 414.71 g/mol. Its IUPAC name is (2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-9H-fluoren-3-yl)-trimethylsilane.

Molecular Properties

Compound Name(2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-9H-fluoren-3-yl)-trimethylsilane
PubChem CID87110240
Molecular FormulaC29H38Si
Molecular Weight414.71 g/mol
Exact Mass414.27
IUPAC Name(2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-9H-fluoren-3-yl)-trimethylsilane
SMILESCC(C)(C)c1ccc2c(c1)Cc1c-2cc([Si](C)(C)C)c(C(C)(C)C)c1C1=CC=CC1
InChIInChI=1S/C29H38Si/c1-28(2,3)21-14-15-22-20(16-21)17-24-23(22)18-25(30(7,8)9)27(29(4,5)6)26(24)19-12-10-11-13-19/h10-12,14-16,18H,13,17H2,1-9H3
InChIKeyIDNSFSBYDSAMNO-UHFFFAOYSA-N
XLogP7.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.71
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

[1-cyclopenta-1,3-dien-1-yl-2,5-bis(trimethylsilyl)-9H-fluoren-3-yl]-trimethylsilane
CID 87109962
3-cyclopenta-1,3-dien-1-yl-2-(2,7-ditert-butyl-9H-fluoren-1-yl)-4-methyl-1,9-dihydrofluoren-1-ide;zirconium
CID 174349240
2,7-ditert-butyl-1-[cyclopenta-1,3-dien-1-yl-bis(4-methylphenyl)methyl]-9H-fluorene
CID 86606714
CID 23078665
CID 23078665
2,7-ditert-butyl-1-cyclopenta-2,4-dien-1-yl-3-ethyl-9H-fluorene
CID 140974176
3-[bis[4-(trifluoromethyl)phenyl]methylidene]-2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-9H-fluoren-9-ide;zirconium(3+);dichloride
CID 87921888
2,7-ditert-butyl-1-(1-cyclopenta-1,3-dien-1-yl-1-phenylpent-2-enyl)-9H-fluorene;zirconium(2+);dichloride
CID 173043554
10-cyclopenta-1,3-dien-1-yl-5,11,13,13-tetramethyl-13-silatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2(7),3,5,10,12(14)-hexaene
CID 18686603
benzhydrylidenezirconium;(2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-3-trimethylsilyl-9H-fluoren-9-id-4-yl)-trimethylsilane
CID 173229403
2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-3-methylidene-9H-fluoren-9-ide;methanidylcyclohexane;zirconium(4+);dichloride
CID 87960811
2,6-ditert-butyl-9H-fluorene;dichlorotitanium
CID 174369876
2-[bis(4-chlorophenyl)methylidene]-3,6-ditert-butyl-1-cyclopenta-1,3-dien-1-ylfluorene
CID 87921945

Frequently Asked Questions

What is the IUPAC name of (2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-9H-fluoren-3-yl)-trimethylsilane?
The IUPAC name of (2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-9H-fluoren-3-yl)-trimethylsilane (CID 87110240) is (2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-9H-fluoren-3-yl)-trimethylsilane.
What is the SMILES notation for (2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-9H-fluoren-3-yl)-trimethylsilane?
The canonical SMILES for (2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-9H-fluoren-3-yl)-trimethylsilane is CC(C)(C)c1ccc2c(c1)Cc1c-2cc([Si](C)(C)C)c(C(C)(C)C)c1C1=CC=CC1.
What is the InChIKey of (2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-9H-fluoren-3-yl)-trimethylsilane?
The InChIKey is IDNSFSBYDSAMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38Si/c1-28(2,3)21-14-15-22-20(16-21)17-24-23(22)18-25(30(7,8)9)27(29(4,5)6)26(24)19-12-10-11-13-19/h10-12,14-16,18H,13,17H2,1-9H3.
What are the key properties of (2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-9H-fluoren-3-yl)-trimethylsilane?
(2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-9H-fluoren-3-yl)-trimethylsilane has a molecular weight of 414.71 g/mol, XLogP of 7.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-9H-fluoren-3-yl)-trimethylsilane is sourced from PubChem (CID 87110240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).