(2,7-ditert-butyl-9H-fluoren-9-yl)-(1H-inden-1-yl)-diphenylsilane

C42H42Si — CID 102398546

IUPAC(2,7-ditert-butyl-9H-fluoren-9-yl)-(1H-inden-1-yl)-diphenylsilane
SMILESCC(C)(C)c1ccc2c(c1)C([Si](c1ccccc1)(c1ccccc1)C1C=Cc3ccccc31)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C42H42Si/c1-41(2,3)30-22-24-35-36-25-23-31(42(4,5)6)28-38(36)40(37(35)27-30)43(32-16-9-7-10-17-32,33-18-11-8-12-19-33)39-26-21-29-15-13-14-20-34(29)39/h7-28,39-40H,1-6H3
InChIKeyVHWYVNRZLGVWAX-UHFFFAOYSA-N
MW574.88 g/mol
LogP9.55
Rot. Bonds4

About (2,7-ditert-butyl-9H-fluoren-9-yl)-(1H-inden-1-yl)-diphenylsilane

(2,7-ditert-butyl-9H-fluoren-9-yl)-(1H-inden-1-yl)-diphenylsilane (PubChem CID 102398546) has the molecular formula C42H42Si and a molecular weight of 574.88 g/mol. Its IUPAC name is (2,7-ditert-butyl-9H-fluoren-9-yl)-(1H-inden-1-yl)-diphenylsilane.

Molecular Properties

Compound Name(2,7-ditert-butyl-9H-fluoren-9-yl)-(1H-inden-1-yl)-diphenylsilane
PubChem CID102398546
Molecular FormulaC42H42Si
Molecular Weight574.88 g/mol
Exact Mass574.31
IUPAC Name(2,7-ditert-butyl-9H-fluoren-9-yl)-(1H-inden-1-yl)-diphenylsilane
SMILESCC(C)(C)c1ccc2c(c1)C([Si](c1ccccc1)(c1ccccc1)C1C=Cc3ccccc31)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C42H42Si/c1-41(2,3)30-22-24-35-36-25-23-31(42(4,5)6)28-38(36)40(37(35)27-30)43(32-16-9-7-10-17-32,33-18-11-8-12-19-33)39-26-21-29-15-13-14-20-34(29)39/h7-28,39-40H,1-6H3
InChIKeyVHWYVNRZLGVWAX-UHFFFAOYSA-N
XLogP9.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.88
LogP ≤ 59.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2,7-ditert-butyl-9H-fluoren-9-yl)-diphenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 139604324
bis(1H-inden-1-yl)-dimethylsilane
CID 599429
tetrakis(1H-inden-1-yl)silane
CID 18688182
bis(2,6-dimethylphenyl)-bis(1H-inden-1-yl)silane
CID 18958376
2,7-ditert-butyl-9-[diphenyl-(7-propan-2-yl-1H-inden-1-yl)methyl]-9H-fluorene
CID 139937266
sodium;ethyl-tris(1H-inden-1-yl)silane;hydride
CID 173341376
2,7-ditert-butyl-9-[diphenyl-(7-phenyl-1H-inden-1-yl)methyl]-9H-fluorene
CID 139937068
(3-tert-butylcyclopenta-1,3-dien-1-yl)-(1H-inden-1-yl)-dimethylsilane
CID 139716357
butyl-(1H-inden-1-yl)-methyl-phenylsilane
CID 88850734
cyclohexyl-(1H-inden-1-yl)-methyl-phenylsilane
CID 174657129
1-(3,5-ditert-butylphenyl)-1H-indene
CID 22613659
cyclopenta-2,4-dien-1-yl-[1H-inden-1-yl(dimethyl)silyl]-dimethylsilane
CID 12983984

Frequently Asked Questions

What is the IUPAC name of (2,7-ditert-butyl-9H-fluoren-9-yl)-(1H-inden-1-yl)-diphenylsilane?
The IUPAC name of (2,7-ditert-butyl-9H-fluoren-9-yl)-(1H-inden-1-yl)-diphenylsilane (CID 102398546) is (2,7-ditert-butyl-9H-fluoren-9-yl)-(1H-inden-1-yl)-diphenylsilane.
What is the SMILES notation for (2,7-ditert-butyl-9H-fluoren-9-yl)-(1H-inden-1-yl)-diphenylsilane?
The canonical SMILES for (2,7-ditert-butyl-9H-fluoren-9-yl)-(1H-inden-1-yl)-diphenylsilane is CC(C)(C)c1ccc2c(c1)C([Si](c1ccccc1)(c1ccccc1)C1C=Cc3ccccc31)c1cc(C(C)(C)C)ccc1-2.
What is the InChIKey of (2,7-ditert-butyl-9H-fluoren-9-yl)-(1H-inden-1-yl)-diphenylsilane?
The InChIKey is VHWYVNRZLGVWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H42Si/c1-41(2,3)30-22-24-35-36-25-23-31(42(4,5)6)28-38(36)40(37(35)27-30)43(32-16-9-7-10-17-32,33-18-11-8-12-19-33)39-26-21-29-15-13-14-20-34(29)39/h7-28,39-40H,1-6H3.
What are the key properties of (2,7-ditert-butyl-9H-fluoren-9-yl)-(1H-inden-1-yl)-diphenylsilane?
(2,7-ditert-butyl-9H-fluoren-9-yl)-(1H-inden-1-yl)-diphenylsilane has a molecular weight of 574.88 g/mol, XLogP of 9.55, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,7-ditert-butyl-9H-fluoren-9-yl)-(1H-inden-1-yl)-diphenylsilane is sourced from PubChem (CID 102398546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).