CID 172520229

C63H44Si — CID 172520229

IUPAC—
SMILESc1ccc(C2(c3ccccc3)c3ccccc3C3(c4ccccc42)c2ccccc2C2(c4ccccc43)c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C63H44Si/c1-5-25-45(26-6-1)61(46-27-7-2-8-28-46)49-33-13-15-35-51(49)62(52-36-16-14-34-50(52)61)53-37-17-19-39-55(53)63(56-40-20-18-38-54(56)62)57-41-21-23-43-59(57)64(47-29-9-3-10-30-47,48-31-11-4-12-32-48)60-44-24-22-42-58(60)63/h1-44H
InChIKeyIGUMNQNJKWUBNB-UHFFFAOYSA-N
MW829.13 g/mol
LogP11.15
Rot. Bonds4

About CID 172520229

CID 172520229 (PubChem CID 172520229) has the molecular formula C63H44Si and a molecular weight of 829.13 g/mol.

Molecular Properties

Compound NameCID 172520229
PubChem CID172520229
Molecular FormulaC63H44Si
Molecular Weight829.13 g/mol
Exact Mass828.32
IUPAC Name—
SMILESc1ccc(C2(c3ccccc3)c3ccccc3C3(c4ccccc42)c2ccccc2C2(c4ccccc43)c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C63H44Si/c1-5-25-45(26-6-1)61(46-27-7-2-8-28-46)49-33-13-15-35-51(49)62(52-36-16-14-34-50(52)61)53-37-17-19-39-55(53)63(56-40-20-18-38-54(56)62)57-41-21-23-43-59(57)64(47-29-9-3-10-30-47,48-31-11-4-12-32-48)60-44-24-22-42-58(60)63/h1-44H
InChIKeyIGUMNQNJKWUBNB-UHFFFAOYSA-N
XLogP11.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.13
LogP ≤ 511.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5,10,10-triphenyl-5-[6-(5,10,10-triphenylbenzo[b][1]benzosilin-5-yl)-9H-fluoren-3-yl]benzo[b][1]benzosiline
CID 58389809
5-[2-(9,9-diphenylacridin-10-yl)ethyl]-10,10-diphenylbenzo[b][1,4]benzazasiline
CID 161100744
N-(9,9-diphenylfluoren-2-yl)-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine
CID 152880962
9,9-diphenylfluorene;methane
CID 145331804
9,9-diphenylfluorene;methane
CID 145140147
9,9-diphenylfluorene;propane
CID 158205050
9,9-diphenylfluorene;methoxymethane
CID 143139467
9-[8-(5,10,10-triphenylbenzo[b][1]benzosilin-5-yl)dibenzofuran-2-yl]carbazole
CID 58389814
bis(9,9-diphenylfluorene);ethane;propane
CID 144938803
5,10-diphenyl-10-(4-spiro[acridine-9,9'-fluorene]-10-ylphenyl)benzo[b][1,4]benzazasiline
CID 140886971
4-(9-phenylfluoren-9-yl)pyridine
CID 130393979
N-naphthalen-1-yl-5,5-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[b][1]benzosiline-10,9'-xanthene]-2'-amine
CID 148623158

Frequently Asked Questions

What is the IUPAC name of CID 172520229?
The IUPAC name of CID 172520229 (CID 172520229) is not available.
What is the SMILES notation for CID 172520229?
The canonical SMILES for CID 172520229 is c1ccc(C2(c3ccccc3)c3ccccc3C3(c4ccccc42)c2ccccc2C2(c4ccccc43)c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3ccccc32)cc1.
What is the InChIKey of CID 172520229?
The InChIKey is IGUMNQNJKWUBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H44Si/c1-5-25-45(26-6-1)61(46-27-7-2-8-28-46)49-33-13-15-35-51(49)62(52-36-16-14-34-50(52)61)53-37-17-19-39-55(53)63(56-40-20-18-38-54(56)62)57-41-21-23-43-59(57)64(47-29-9-3-10-30-47,48-31-11-4-12-32-48)60-44-24-22-42-58(60)63/h1-44H.
What are the key properties of CID 172520229?
CID 172520229 has a molecular weight of 829.13 g/mol, XLogP of 11.15, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172520229 is sourced from PubChem (CID 172520229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).