tert-butyl-[4-[1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-9H-fluoren-2-yl]phenoxy]-dimethylsilane

C37H46O2Si2 — CID 140987281

IUPACtert-butyl-[4-[1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-9H-fluoren-2-yl]phenoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc3c(c2-c2ccc(O[Si](C)(C)C(C)(C)C)cc2)Cc2ccccc2-3)cc1
InChIInChI=1S/C37H46O2Si2/c1-36(2,3)40(7,8)38-29-19-15-26(16-20-29)32-23-24-33-31-14-12-11-13-28(31)25-34(33)35(32)27-17-21-30(22-18-27)39-41(9,10)37(4,5)6/h11-24H,25H2,1-10H3
InChIKeyKVQZAXXHMFNBQL-UHFFFAOYSA-N
MW578.95 g/mol
LogP11.36
Rot. Bonds6

About tert-butyl-[4-[1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-9H-fluoren-2-yl]phenoxy]-dimethylsilane

tert-butyl-[4-[1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-9H-fluoren-2-yl]phenoxy]-dimethylsilane (PubChem CID 140987281) has the molecular formula C37H46O2Si2 and a molecular weight of 578.95 g/mol. Its IUPAC name is tert-butyl-[4-[1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-9H-fluoren-2-yl]phenoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-[1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-9H-fluoren-2-yl]phenoxy]-dimethylsilane
PubChem CID140987281
Molecular FormulaC37H46O2Si2
Molecular Weight578.95 g/mol
Exact Mass578.30
IUPAC Nametert-butyl-[4-[1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-9H-fluoren-2-yl]phenoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc3c(c2-c2ccc(O[Si](C)(C)C(C)(C)C)cc2)Cc2ccccc2-3)cc1
InChIInChI=1S/C37H46O2Si2/c1-36(2,3)40(7,8)38-29-19-15-26(16-20-29)32-23-24-33-31-14-12-11-13-28(31)25-34(33)35(32)27-17-21-30(22-18-27)39-41(9,10)37(4,5)6/h11-24H,25H2,1-10H3
InChIKeyKVQZAXXHMFNBQL-UHFFFAOYSA-N
XLogP11.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.95
LogP ≤ 511.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 tert-butyl-[4-[1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-9H-fluoren-2-yl]phenoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[4-[1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-9H-fluoren-2-yl]phenoxy]-dimethylsilane (CID 140987281) is tert-butyl-[4-[1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-9H-fluoren-2-yl]phenoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-[1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-9H-fluoren-2-yl]phenoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[4-[1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-9H-fluoren-2-yl]phenoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc3c(c2-c2ccc(O[Si](C)(C)C(C)(C)C)cc2)Cc2ccccc2-3)cc1.
What is the InChIKey of tert-butyl-[4-[1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-9H-fluoren-2-yl]phenoxy]-dimethylsilane?
The InChIKey is KVQZAXXHMFNBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H46O2Si2/c1-36(2,3)40(7,8)38-29-19-15-26(16-20-29)32-23-24-33-31-14-12-11-13-28(31)25-34(33)35(32)27-17-21-30(22-18-27)39-41(9,10)37(4,5)6/h11-24H,25H2,1-10H3.
What are the key properties of tert-butyl-[4-[1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-9H-fluoren-2-yl]phenoxy]-dimethylsilane?
tert-butyl-[4-[1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-9H-fluoren-2-yl]phenoxy]-dimethylsilane has a molecular weight of 578.95 g/mol, XLogP of 11.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-[1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-9H-fluoren-2-yl]phenoxy]-dimethylsilane is sourced from PubChem (CID 140987281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).