3-N,7-N-di(dibenzofuran-1-yl)-10,10-dimethyl-3-N,7-N-bis(2-phenylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine

C192H132N6O9Si3 — CID 158790416

IUPAC3-N,7-N-di(dibenzofuran-1-yl)-10,10-dimethyl-3-N,7-N-bis(2-phenylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine
SMILESC[Si]1(C)c2ccc(N(c3ccccc3-c3ccccc3)c3cccc4oc5ccccc5c34)cc2-c2oc3cc(N(c4ccccc4-c4ccccc4)c4cccc5oc6ccccc6c45)ccc3c21.C[Si]1(C)c2ccc(N(c3ccccc3-c3ccccc3)c3cccc4oc5ccccc5c34)cc2-c2oc3cc(N(c4ccccc4-c4ccccc4)c4cccc5oc6ccccc6c45)ccc3c21.C[Si]1(C)c2ccc(N(c3ccccc3-c3ccccc3)c3cccc4oc5ccccc5c34)cc2-c2oc3cc(N(c4ccccc4-c4ccccc4)c4cccc5oc6ccccc6c45)ccc3c21
InChIInChI=1S/3C64H44N2O3Si/c3*1-70(2)60-38-36-43(65(51-27-13-9-23-45(51)41-19-5-3-6-20-41)53-29-17-33-57-61(53)47-25-11-15-31-55(47)67-57)39-50(60)63-64(70)49-37-35-44(40-59(49)69-63)66(52-28-14-10-24-46(52)42-21-7-4-8-22-42)54-30-18-34-58-62(54)48-26-12-16-32-56(48)68-58/h3*3-40H,1-2H3
InChIKeyISEYBXUDUPYIGS-UHFFFAOYSA-N
MW2751.46 g/mol
LogP51.92
Rot. Bonds24

About 3-N,7-N-di(dibenzofuran-1-yl)-10,10-dimethyl-3-N,7-N-bis(2-phenylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine

3-N,7-N-di(dibenzofuran-1-yl)-10,10-dimethyl-3-N,7-N-bis(2-phenylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine (PubChem CID 158790416) has the molecular formula C192H132N6O9Si3 and a molecular weight of 2751.46 g/mol. Its IUPAC name is 3-N,7-N-di(dibenzofuran-1-yl)-10,10-dimethyl-3-N,7-N-bis(2-phenylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine.

Molecular Properties

Compound Name3-N,7-N-di(dibenzofuran-1-yl)-10,10-dimethyl-3-N,7-N-bis(2-phenylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine
PubChem CID158790416
Molecular FormulaC192H132N6O9Si3
Molecular Weight2751.46 g/mol
Exact Mass2748.94
IUPAC Name3-N,7-N-di(dibenzofuran-1-yl)-10,10-dimethyl-3-N,7-N-bis(2-phenylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine
SMILESC[Si]1(C)c2ccc(N(c3ccccc3-c3ccccc3)c3cccc4oc5ccccc5c34)cc2-c2oc3cc(N(c4ccccc4-c4ccccc4)c4cccc5oc6ccccc6c45)ccc3c21.C[Si]1(C)c2ccc(N(c3ccccc3-c3ccccc3)c3cccc4oc5ccccc5c34)cc2-c2oc3cc(N(c4ccccc4-c4ccccc4)c4cccc5oc6ccccc6c45)ccc3c21.C[Si]1(C)c2ccc(N(c3ccccc3-c3ccccc3)c3cccc4oc5ccccc5c34)cc2-c2oc3cc(N(c4ccccc4-c4ccccc4)c4cccc5oc6ccccc6c45)ccc3c21
InChIInChI=1S/3C64H44N2O3Si/c3*1-70(2)60-38-36-43(65(51-27-13-9-23-45(51)41-19-5-3-6-20-41)53-29-17-33-57-61(53)47-25-11-15-31-55(47)67-57)39-50(60)63-64(70)49-37-35-44(40-59(49)69-63)66(52-28-14-10-24-46(52)42-21-7-4-8-22-42)54-30-18-34-58-62(54)48-26-12-16-32-56(48)68-58/h3*3-40H,1-2H3
InChIKeyISEYBXUDUPYIGS-UHFFFAOYSA-N
XLogP51.92
TPSA137.70 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds24
Heavy Atoms210
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002751.46
LogP ≤ 551.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 3-N,7-N-di(dibenzofuran-1-yl)-10,10-dimethyl-3-N,7-N-bis(2-phenylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine with MolForge

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Related Compounds

3-N,7-N-di(dibenzofuran-1-yl)-10,10-dimethyl-3-N,7-N-diphenyl-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine
CID 140845147
3-N,7-N-bis(2-fluoro-4,6-diphenylphenyl)-10,10-dimethyl-3-N,7-N-bis(2-phenylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine
CID 140845214
7-N-dibenzofuran-4-yl-10,10-dimethyl-3-N,3-N,7-N-triphenyl-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine
CID 140845196
10,10-dimethyl-3-N,7-N-diphenyl-3-N,7-N-bis(3-phenylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine;10,10-dimethyl-3-N,7-N-diphenyl-3-N,7-N-bis(4-phenylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine
CID 159093716
N-(2-phenylphenyl)-N-[2-[2-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 167087254
N,N-bis[2-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 121311269
N-dibenzofuran-1-yl-N-(2-phenylphenyl)-28-oxaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.027,35.029,34]heptatriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27(35),29,31,33,36-octadecaen-4-amine
CID 130465131
N-dibenzofuran-1-yl-N-(2-phenylphenyl)-28-oxaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.027,35.029,34]heptatriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27(35),29,31,33,36-octadecaen-5-amine
CID 130464712
N-dibenzofuran-1-yl-N-[2-(4-dibenzofuran-4-ylphenyl)-5-phenylphenyl]dibenzofuran-3-amine
CID 176763165
N-(3-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-1-amine
CID 155186822
N-(2-dibenzofuran-1-ylphenyl)-N-phenyldibenzofuran-1-amine;N-(2-dibenzofuran-1-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-1-amine;N-(2-dibenzofuran-1-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine;N-(2-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine;N-(2-dibenzofuran-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 158387257
N-[2-[2-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 167086852

Frequently Asked Questions

What is the IUPAC name of 3-N,7-N-di(dibenzofuran-1-yl)-10,10-dimethyl-3-N,7-N-bis(2-phenylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine?
The IUPAC name of 3-N,7-N-di(dibenzofuran-1-yl)-10,10-dimethyl-3-N,7-N-bis(2-phenylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine (CID 158790416) is 3-N,7-N-di(dibenzofuran-1-yl)-10,10-dimethyl-3-N,7-N-bis(2-phenylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine.
What is the SMILES notation for 3-N,7-N-di(dibenzofuran-1-yl)-10,10-dimethyl-3-N,7-N-bis(2-phenylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine?
The canonical SMILES for 3-N,7-N-di(dibenzofuran-1-yl)-10,10-dimethyl-3-N,7-N-bis(2-phenylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine is C[Si]1(C)c2ccc(N(c3ccccc3-c3ccccc3)c3cccc4oc5ccccc5c34)cc2-c2oc3cc(N(c4ccccc4-c4ccccc4)c4cccc5oc6ccccc6c45)ccc3c21.C[Si]1(C)c2ccc(N(c3ccccc3-c3ccccc3)c3cccc4oc5ccccc5c34)cc2-c2oc3cc(N(c4ccccc4-c4ccccc4)c4cccc5oc6ccccc6c45)ccc3c21.C[Si]1(C)c2ccc(N(c3ccccc3-c3ccccc3)c3cccc4oc5ccccc5c34)cc2-c2oc3cc(N(c4ccccc4-c4ccccc4)c4cccc5oc6ccccc6c45)ccc3c21.
What is the InChIKey of 3-N,7-N-di(dibenzofuran-1-yl)-10,10-dimethyl-3-N,7-N-bis(2-phenylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine?
The InChIKey is ISEYBXUDUPYIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C64H44N2O3Si/c3*1-70(2)60-38-36-43(65(51-27-13-9-23-45(51)41-19-5-3-6-20-41)53-29-17-33-57-61(53)47-25-11-15-31-55(47)67-57)39-50(60)63-64(70)49-37-35-44(40-59(49)69-63)66(52-28-14-10-24-46(52)42-21-7-4-8-22-42)54-30-18-34-58-62(54)48-26-12-16-32-56(48)68-58/h3*3-40H,1-2H3.
What are the key properties of 3-N,7-N-di(dibenzofuran-1-yl)-10,10-dimethyl-3-N,7-N-bis(2-phenylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine?
3-N,7-N-di(dibenzofuran-1-yl)-10,10-dimethyl-3-N,7-N-bis(2-phenylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine has a molecular weight of 2751.46 g/mol, XLogP of 51.92, 24 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,7-N-di(dibenzofuran-1-yl)-10,10-dimethyl-3-N,7-N-bis(2-phenylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine is sourced from PubChem (CID 158790416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).