[9,9-dimethyl-7-(10-naphthalen-2-ylanthracen-9-yl)fluoren-2-yl]-triphenylsilane

C57H42Si — CID 59489170

IUPAC[9,9-dimethyl-7-(10-naphthalen-2-ylanthracen-9-yl)fluoren-2-yl]-triphenylsilane
SMILESCC1(C)c2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)ccc2-c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C57H42Si/c1-57(2)53-37-42(56-51-28-16-14-26-49(51)55(50-27-15-17-29-52(50)56)41-31-30-39-18-12-13-19-40(39)36-41)32-34-47(53)48-35-33-46(38-54(48)57)58(43-20-6-3-7-21-43,44-22-8-4-9-23-44)45-24-10-5-11-25-45/h3-38H,1-2H3
InChIKeyGFTGGVNWUZDTNW-UHFFFAOYSA-N
MW755.05 g/mol
LogP12.16
Rot. Bonds6

About [9,9-dimethyl-7-(10-naphthalen-2-ylanthracen-9-yl)fluoren-2-yl]-triphenylsilane

[9,9-dimethyl-7-(10-naphthalen-2-ylanthracen-9-yl)fluoren-2-yl]-triphenylsilane (PubChem CID 59489170) has the molecular formula C57H42Si and a molecular weight of 755.05 g/mol. Its IUPAC name is [9,9-dimethyl-7-(10-naphthalen-2-ylanthracen-9-yl)fluoren-2-yl]-triphenylsilane.

Molecular Properties

Compound Name[9,9-dimethyl-7-(10-naphthalen-2-ylanthracen-9-yl)fluoren-2-yl]-triphenylsilane
PubChem CID59489170
Molecular FormulaC57H42Si
Molecular Weight755.05 g/mol
Exact Mass754.31
IUPAC Name[9,9-dimethyl-7-(10-naphthalen-2-ylanthracen-9-yl)fluoren-2-yl]-triphenylsilane
SMILESCC1(C)c2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)ccc2-c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C57H42Si/c1-57(2)53-37-42(56-51-28-16-14-26-49(51)55(50-27-15-17-29-52(50)56)41-31-30-39-18-12-13-19-40(39)36-41)32-34-47(53)48-35-33-46(38-54(48)57)58(43-20-6-3-7-21-43,44-22-8-4-9-23-44)45-24-10-5-11-25-45/h3-38H,1-2H3
InChIKeyGFTGGVNWUZDTNW-UHFFFAOYSA-N
XLogP12.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.05
LogP ≤ 512.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [9,9-dimethyl-7-(10-naphthalen-2-ylanthracen-9-yl)fluoren-2-yl]-triphenylsilane?
The IUPAC name of [9,9-dimethyl-7-(10-naphthalen-2-ylanthracen-9-yl)fluoren-2-yl]-triphenylsilane (CID 59489170) is [9,9-dimethyl-7-(10-naphthalen-2-ylanthracen-9-yl)fluoren-2-yl]-triphenylsilane.
What is the SMILES notation for [9,9-dimethyl-7-(10-naphthalen-2-ylanthracen-9-yl)fluoren-2-yl]-triphenylsilane?
The canonical SMILES for [9,9-dimethyl-7-(10-naphthalen-2-ylanthracen-9-yl)fluoren-2-yl]-triphenylsilane is CC1(C)c2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)ccc2-c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of [9,9-dimethyl-7-(10-naphthalen-2-ylanthracen-9-yl)fluoren-2-yl]-triphenylsilane?
The InChIKey is GFTGGVNWUZDTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H42Si/c1-57(2)53-37-42(56-51-28-16-14-26-49(51)55(50-27-15-17-29-52(50)56)41-31-30-39-18-12-13-19-40(39)36-41)32-34-47(53)48-35-33-46(38-54(48)57)58(43-20-6-3-7-21-43,44-22-8-4-9-23-44)45-24-10-5-11-25-45/h3-38H,1-2H3.
What are the key properties of [9,9-dimethyl-7-(10-naphthalen-2-ylanthracen-9-yl)fluoren-2-yl]-triphenylsilane?
[9,9-dimethyl-7-(10-naphthalen-2-ylanthracen-9-yl)fluoren-2-yl]-triphenylsilane has a molecular weight of 755.05 g/mol, XLogP of 12.16, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [9,9-dimethyl-7-(10-naphthalen-2-ylanthracen-9-yl)fluoren-2-yl]-triphenylsilane is sourced from PubChem (CID 59489170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).