(7,10-diphenylfluoranthen-8-yl)-triethoxysilane

C34H32O3Si — CID 11827406

IUPAC(7,10-diphenylfluoranthen-8-yl)-triethoxysilane
SMILESCCO[Si](OCC)(OCC)c1cc(-c2ccccc2)c2c(c1-c1ccccc1)-c1cccc3cccc-2c13
InChIInChI=1S/C34H32O3Si/c1-4-35-38(36-5-2,37-6-3)30-23-29(24-15-9-7-10-16-24)33-27-21-13-19-25-20-14-22-28(31(25)27)34(33)32(30)26-17-11-8-12-18-26/h7-23H,4-6H2,1-3H3
InChIKeyHWNBLISGARNGIK-UHFFFAOYSA-N
MW516.71 g/mol
LogP8.08
Rot. Bonds9

About (7,10-diphenylfluoranthen-8-yl)-triethoxysilane

(7,10-diphenylfluoranthen-8-yl)-triethoxysilane (PubChem CID 11827406) has the molecular formula C34H32O3Si and a molecular weight of 516.71 g/mol. Its IUPAC name is (7,10-diphenylfluoranthen-8-yl)-triethoxysilane.

Molecular Properties

Compound Name(7,10-diphenylfluoranthen-8-yl)-triethoxysilane
PubChem CID11827406
Molecular FormulaC34H32O3Si
Molecular Weight516.71 g/mol
Exact Mass516.21
IUPAC Name(7,10-diphenylfluoranthen-8-yl)-triethoxysilane
SMILESCCO[Si](OCC)(OCC)c1cc(-c2ccccc2)c2c(c1-c1ccccc1)-c1cccc3cccc-2c13
InChIInChI=1S/C34H32O3Si/c1-4-35-38(36-5-2,37-6-3)30-23-29(24-15-9-7-10-16-24)33-27-21-13-19-25-20-14-22-28(31(25)27)34(33)32(30)26-17-11-8-12-18-26/h7-23H,4-6H2,1-3H3
InChIKeyHWNBLISGARNGIK-UHFFFAOYSA-N
XLogP8.08
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.71
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-diphenylfluoranthen-8-yl)-triethoxysilane?
The IUPAC name of (7,10-diphenylfluoranthen-8-yl)-triethoxysilane (CID 11827406) is (7,10-diphenylfluoranthen-8-yl)-triethoxysilane.
What is the SMILES notation for (7,10-diphenylfluoranthen-8-yl)-triethoxysilane?
The canonical SMILES for (7,10-diphenylfluoranthen-8-yl)-triethoxysilane is CCO[Si](OCC)(OCC)c1cc(-c2ccccc2)c2c(c1-c1ccccc1)-c1cccc3cccc-2c13.
What is the InChIKey of (7,10-diphenylfluoranthen-8-yl)-triethoxysilane?
The InChIKey is HWNBLISGARNGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32O3Si/c1-4-35-38(36-5-2,37-6-3)30-23-29(24-15-9-7-10-16-24)33-27-21-13-19-25-20-14-22-28(31(25)27)34(33)32(30)26-17-11-8-12-18-26/h7-23H,4-6H2,1-3H3.
What are the key properties of (7,10-diphenylfluoranthen-8-yl)-triethoxysilane?
(7,10-diphenylfluoranthen-8-yl)-triethoxysilane has a molecular weight of 516.71 g/mol, XLogP of 8.08, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7,10-diphenylfluoranthen-8-yl)-triethoxysilane is sourced from PubChem (CID 11827406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).