3-N,3-N,7-N,7-N,10,10-hexakis-phenyl-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine

C50H36N2OSi — CID 140845212

IUPAC3-N,3-N,7-N,7-N,10,10-hexakis-phenyl-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)-c2oc4cc(N(c5ccccc5)c5ccccc5)ccc4c2[Si]3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C50H36N2OSi/c1-7-19-37(20-8-1)51(38-21-9-2-10-22-38)41-32-34-48-46(35-41)49-50(54(48,43-27-15-5-16-28-43)44-29-17-6-18-30-44)45-33-31-42(36-47(45)53-49)52(39-23-11-3-12-24-39)40-25-13-4-14-26-40/h1-36H
InChIKeyHACVOCVTLCBCKR-UHFFFAOYSA-N
MW708.94 g/mol
LogP10.73
Rot. Bonds8

About 3-N,3-N,7-N,7-N,10,10-hexakis-phenyl-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine

3-N,3-N,7-N,7-N,10,10-hexakis-phenyl-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine (PubChem CID 140845212) has the molecular formula C50H36N2OSi and a molecular weight of 708.94 g/mol. Its IUPAC name is 3-N,3-N,7-N,7-N,10,10-hexakis-phenyl-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine.

Molecular Properties

Compound Name3-N,3-N,7-N,7-N,10,10-hexakis-phenyl-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine
PubChem CID140845212
Molecular FormulaC50H36N2OSi
Molecular Weight708.94 g/mol
Exact Mass708.26
IUPAC Name3-N,3-N,7-N,7-N,10,10-hexakis-phenyl-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)-c2oc4cc(N(c5ccccc5)c5ccccc5)ccc4c2[Si]3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C50H36N2OSi/c1-7-19-37(20-8-1)51(38-21-9-2-10-22-38)41-32-34-48-46(35-41)49-50(54(48,43-27-15-5-16-28-43)44-29-17-6-18-30-44)45-33-31-42(36-47(45)53-49)52(39-23-11-3-12-24-39)40-25-13-4-14-26-40/h1-36H
InChIKeyHACVOCVTLCBCKR-UHFFFAOYSA-N
XLogP10.73
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.94
LogP ≤ 510.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-N,3-N,7-N,7-N,10,10-hexakis-phenyl-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine with MolForge

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Related Compounds

10,10-dimethyl-3-N,3-N,8-N,8-N-tetraphenyl-[1]benzosilolo[3,2-b][1]benzofuran-3,8-diamine;3-N,3-N,8-N,8-N,10,10-hexakis-phenyl-[1]benzosilolo[3,2-b][1]benzofuran-3,8-diamine
CID 157459074
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
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
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
N-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)-N-phenyldibenzofuran-3-amine
CID 149201955
4-[10,10-dimethyl-3-[4-(N-phenylanilino)phenyl]-[1]benzosilolo[3,2-b][1]benzofuran-8-yl]-N,N-diphenylaniline
CID 140845180
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
N,N-diphenyl-4-(5-phenylbenzo[b][1]benzosilol-5-yl)aniline
CID 153426650
1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 71126632
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
N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]benzo[b][1]benzosilol-5-yl]aniline
CID 165050185
3-N,7-N-bis(4-tert-butylphenyl)-10,10-dimethyl-3-N,7-N-bis(2,4,6-trimethylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine;3-N,7-N-bis(2-fluoro-4,6-diphenylphenyl)-10,10-dimethyl-3-N,7-N-diphenyl-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine
CID 160811815

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,7-N,7-N,10,10-hexakis-phenyl-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine?
The IUPAC name of 3-N,3-N,7-N,7-N,10,10-hexakis-phenyl-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine (CID 140845212) is 3-N,3-N,7-N,7-N,10,10-hexakis-phenyl-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine.
What is the SMILES notation for 3-N,3-N,7-N,7-N,10,10-hexakis-phenyl-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine?
The canonical SMILES for 3-N,3-N,7-N,7-N,10,10-hexakis-phenyl-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine is c1ccc(N(c2ccccc2)c2ccc3c(c2)-c2oc4cc(N(c5ccccc5)c5ccccc5)ccc4c2[Si]3(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 3-N,3-N,7-N,7-N,10,10-hexakis-phenyl-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine?
The InChIKey is HACVOCVTLCBCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36N2OSi/c1-7-19-37(20-8-1)51(38-21-9-2-10-22-38)41-32-34-48-46(35-41)49-50(54(48,43-27-15-5-16-28-43)44-29-17-6-18-30-44)45-33-31-42(36-47(45)53-49)52(39-23-11-3-12-24-39)40-25-13-4-14-26-40/h1-36H.
What are the key properties of 3-N,3-N,7-N,7-N,10,10-hexakis-phenyl-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine?
3-N,3-N,7-N,7-N,10,10-hexakis-phenyl-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine has a molecular weight of 708.94 g/mol, XLogP of 10.73, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,7-N,7-N,10,10-hexakis-phenyl-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine is sourced from PubChem (CID 140845212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).