[7,10-bis(4-butylphenyl)fluoranthen-8-yl]-trimethylsilane

C39H42Si — CID 11606289

IUPAC[7,10-bis(4-butylphenyl)fluoranthen-8-yl]-trimethylsilane
SMILESCCCCc1ccc(-c2cc([Si](C)(C)C)c(-c3ccc(CCCC)cc3)c3c2-c2cccc4cccc-3c24)cc1
InChIInChI=1S/C39H42Si/c1-6-8-12-27-18-22-29(23-19-27)34-26-35(40(3,4)5)37(31-24-20-28(21-25-31)13-9-7-2)39-33-17-11-15-30-14-10-16-32(36(30)33)38(34)39/h10-11,14-26H,6-9,12-13H2,1-5H3
InChIKeyFUYLZFFKTWLUMA-UHFFFAOYSA-N
MW538.85 g/mol
LogP11.05
Rot. Bonds9

About [7,10-bis(4-butylphenyl)fluoranthen-8-yl]-trimethylsilane

[7,10-bis(4-butylphenyl)fluoranthen-8-yl]-trimethylsilane (PubChem CID 11606289) has the molecular formula C39H42Si and a molecular weight of 538.85 g/mol. Its IUPAC name is [7,10-bis(4-butylphenyl)fluoranthen-8-yl]-trimethylsilane.

Molecular Properties

Compound Name[7,10-bis(4-butylphenyl)fluoranthen-8-yl]-trimethylsilane
PubChem CID11606289
Molecular FormulaC39H42Si
Molecular Weight538.85 g/mol
Exact Mass538.31
IUPAC Name[7,10-bis(4-butylphenyl)fluoranthen-8-yl]-trimethylsilane
SMILESCCCCc1ccc(-c2cc([Si](C)(C)C)c(-c3ccc(CCCC)cc3)c3c2-c2cccc4cccc-3c24)cc1
InChIInChI=1S/C39H42Si/c1-6-8-12-27-18-22-29(23-19-27)34-26-35(40(3,4)5)37(31-24-20-28(21-25-31)13-9-7-2)39-33-17-11-15-30-14-10-16-32(36(30)33)38(34)39/h10-11,14-26H,6-9,12-13H2,1-5H3
InChIKeyFUYLZFFKTWLUMA-UHFFFAOYSA-N
XLogP11.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.85
LogP ≤ 511.05
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 [7,10-bis(4-butylphenyl)fluoranthen-8-yl]-trimethylsilane?
The IUPAC name of [7,10-bis(4-butylphenyl)fluoranthen-8-yl]-trimethylsilane (CID 11606289) is [7,10-bis(4-butylphenyl)fluoranthen-8-yl]-trimethylsilane.
What is the SMILES notation for [7,10-bis(4-butylphenyl)fluoranthen-8-yl]-trimethylsilane?
The canonical SMILES for [7,10-bis(4-butylphenyl)fluoranthen-8-yl]-trimethylsilane is CCCCc1ccc(-c2cc([Si](C)(C)C)c(-c3ccc(CCCC)cc3)c3c2-c2cccc4cccc-3c24)cc1.
What is the InChIKey of [7,10-bis(4-butylphenyl)fluoranthen-8-yl]-trimethylsilane?
The InChIKey is FUYLZFFKTWLUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H42Si/c1-6-8-12-27-18-22-29(23-19-27)34-26-35(40(3,4)5)37(31-24-20-28(21-25-31)13-9-7-2)39-33-17-11-15-30-14-10-16-32(36(30)33)38(34)39/h10-11,14-26H,6-9,12-13H2,1-5H3.
What are the key properties of [7,10-bis(4-butylphenyl)fluoranthen-8-yl]-trimethylsilane?
[7,10-bis(4-butylphenyl)fluoranthen-8-yl]-trimethylsilane has a molecular weight of 538.85 g/mol, XLogP of 11.05, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [7,10-bis(4-butylphenyl)fluoranthen-8-yl]-trimethylsilane is sourced from PubChem (CID 11606289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).