(4-methoxyphenyl)-[6-[(4-methylphenyl)-diphenylsilyl]-9H-fluoren-3-yl]-diphenylsilane

C51H42OSi2 — CID 58131110

IUPAC(4-methoxyphenyl)-[6-[(4-methylphenyl)-diphenylsilyl]-9H-fluoren-3-yl]-diphenylsilane
SMILESCOc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc3c(c2)-c2cc([Si](c4ccccc4)(c4ccccc4)c4ccc(C)cc4)ccc2C3)cc1
InChIInChI=1S/C51H42OSi2/c1-38-23-29-46(30-24-38)53(42-15-7-3-8-16-42,43-17-9-4-10-18-43)48-31-25-39-35-40-26-32-49(37-51(40)50(39)36-48)54(44-19-11-5-12-20-44,45-21-13-6-14-22-45)47-33-27-41(52-2)28-34-47/h3-34,36-37H,35H2,1-2H3
InChIKeyCGXOFMABEOHEEK-UHFFFAOYSA-N
MW727.07 g/mol
LogP6.33
Rot. Bonds9

About (4-methoxyphenyl)-[6-[(4-methylphenyl)-diphenylsilyl]-9H-fluoren-3-yl]-diphenylsilane

(4-methoxyphenyl)-[6-[(4-methylphenyl)-diphenylsilyl]-9H-fluoren-3-yl]-diphenylsilane (PubChem CID 58131110) has the molecular formula C51H42OSi2 and a molecular weight of 727.07 g/mol. Its IUPAC name is (4-methoxyphenyl)-[6-[(4-methylphenyl)-diphenylsilyl]-9H-fluoren-3-yl]-diphenylsilane.

Molecular Properties

Compound Name(4-methoxyphenyl)-[6-[(4-methylphenyl)-diphenylsilyl]-9H-fluoren-3-yl]-diphenylsilane
PubChem CID58131110
Molecular FormulaC51H42OSi2
Molecular Weight727.07 g/mol
Exact Mass726.28
IUPAC Name(4-methoxyphenyl)-[6-[(4-methylphenyl)-diphenylsilyl]-9H-fluoren-3-yl]-diphenylsilane
SMILESCOc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc3c(c2)-c2cc([Si](c4ccccc4)(c4ccccc4)c4ccc(C)cc4)ccc2C3)cc1
InChIInChI=1S/C51H42OSi2/c1-38-23-29-46(30-24-38)53(42-15-7-3-8-16-42,43-17-9-4-10-18-43)48-31-25-39-35-40-26-32-49(37-51(40)50(39)36-48)54(44-19-11-5-12-20-44,45-21-13-6-14-22-45)47-33-27-41(52-2)28-34-47/h3-34,36-37H,35H2,1-2H3
InChIKeyCGXOFMABEOHEEK-UHFFFAOYSA-N
XLogP6.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.07
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[6-[(4-methylphenyl)-diphenylsilyl]-9H-fluoren-3-yl]-diphenylsilane?
The IUPAC name of (4-methoxyphenyl)-[6-[(4-methylphenyl)-diphenylsilyl]-9H-fluoren-3-yl]-diphenylsilane (CID 58131110) is (4-methoxyphenyl)-[6-[(4-methylphenyl)-diphenylsilyl]-9H-fluoren-3-yl]-diphenylsilane.
What is the SMILES notation for (4-methoxyphenyl)-[6-[(4-methylphenyl)-diphenylsilyl]-9H-fluoren-3-yl]-diphenylsilane?
The canonical SMILES for (4-methoxyphenyl)-[6-[(4-methylphenyl)-diphenylsilyl]-9H-fluoren-3-yl]-diphenylsilane is COc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc3c(c2)-c2cc([Si](c4ccccc4)(c4ccccc4)c4ccc(C)cc4)ccc2C3)cc1.
What is the InChIKey of (4-methoxyphenyl)-[6-[(4-methylphenyl)-diphenylsilyl]-9H-fluoren-3-yl]-diphenylsilane?
The InChIKey is CGXOFMABEOHEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H42OSi2/c1-38-23-29-46(30-24-38)53(42-15-7-3-8-16-42,43-17-9-4-10-18-43)48-31-25-39-35-40-26-32-49(37-51(40)50(39)36-48)54(44-19-11-5-12-20-44,45-21-13-6-14-22-45)47-33-27-41(52-2)28-34-47/h3-34,36-37H,35H2,1-2H3.
What are the key properties of (4-methoxyphenyl)-[6-[(4-methylphenyl)-diphenylsilyl]-9H-fluoren-3-yl]-diphenylsilane?
(4-methoxyphenyl)-[6-[(4-methylphenyl)-diphenylsilyl]-9H-fluoren-3-yl]-diphenylsilane has a molecular weight of 727.07 g/mol, XLogP of 6.33, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[6-[(4-methylphenyl)-diphenylsilyl]-9H-fluoren-3-yl]-diphenylsilane is sourced from PubChem (CID 58131110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).