4-[10,10-dimethyl-3-[4-(N-phenylanilino)phenyl]-[1]benzosilolo[3,2-b][1]benzofuran-8-yl]-N,N-diphenylaniline

C52H40N2OSi — CID 140845180

IUPAC4-[10,10-dimethyl-3-[4-(N-phenylanilino)phenyl]-[1]benzosilolo[3,2-b][1]benzofuran-8-yl]-N,N-diphenylaniline
SMILESC[Si]1(C)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2-c2oc3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3c21
InChIInChI=1S/C52H40N2OSi/c1-56(2)50-34-28-40(38-25-31-46(32-26-38)54(43-19-11-5-12-20-43)44-21-13-6-14-22-44)36-48(50)51-52(56)47-35-39(27-33-49(47)55-51)37-23-29-45(30-24-37)53(41-15-7-3-8-16-41)42-17-9-4-10-18-42/h3-36H,1-2H3
InChIKeyNOLDIOHICPZCDT-UHFFFAOYSA-N
MW736.99 g/mol
LogP13.51
Rot. Bonds8

About 4-[10,10-dimethyl-3-[4-(N-phenylanilino)phenyl]-[1]benzosilolo[3,2-b][1]benzofuran-8-yl]-N,N-diphenylaniline

4-[10,10-dimethyl-3-[4-(N-phenylanilino)phenyl]-[1]benzosilolo[3,2-b][1]benzofuran-8-yl]-N,N-diphenylaniline (PubChem CID 140845180) has the molecular formula C52H40N2OSi and a molecular weight of 736.99 g/mol. Its IUPAC name is 4-[10,10-dimethyl-3-[4-(N-phenylanilino)phenyl]-[1]benzosilolo[3,2-b][1]benzofuran-8-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[10,10-dimethyl-3-[4-(N-phenylanilino)phenyl]-[1]benzosilolo[3,2-b][1]benzofuran-8-yl]-N,N-diphenylaniline
PubChem CID140845180
Molecular FormulaC52H40N2OSi
Molecular Weight736.99 g/mol
Exact Mass736.29
IUPAC Name4-[10,10-dimethyl-3-[4-(N-phenylanilino)phenyl]-[1]benzosilolo[3,2-b][1]benzofuran-8-yl]-N,N-diphenylaniline
SMILESC[Si]1(C)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2-c2oc3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3c21
InChIInChI=1S/C52H40N2OSi/c1-56(2)50-34-28-40(38-25-31-46(32-26-38)54(43-19-11-5-12-20-43)44-21-13-6-14-22-44)36-48(50)51-52(56)47-35-39(27-33-49(47)55-51)37-23-29-45(30-24-37)53(41-15-7-3-8-16-41)42-17-9-4-10-18-42/h3-36H,1-2H3
InChIKeyNOLDIOHICPZCDT-UHFFFAOYSA-N
XLogP13.51
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.99
LogP ≤ 513.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
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
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
N,4-diphenyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]aniline;4-phenyl-N,N-bis(4-phenylphenyl)aniline;4-phenyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-[4-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 158000824
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-(3-tert-butylphenyl)-3-N,8-N,8-N-tris(4-tert-butylphenyl)-10,10-dimethyl-[1]benzosilolo[3,2-b][1]benzofuran-3,8-diamine;10,10-dimethyl-3-N,3-N,8-N,8-N-tetrakis(2,4,6-trimethylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,8-diamine
CID 157136394
4-(6,8-diphenyldibenzofuran-2-yl)-N,N-diphenylaniline
CID 130208140
N,16-diphenyl-N-[4-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine
CID 171050312
N-(4-dibenzofuran-2-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 90350985
1-N,3-N,5-N-tris(4-dibenzofuran-2-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 118605062
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
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

Frequently Asked Questions

What is the IUPAC name of 4-[10,10-dimethyl-3-[4-(N-phenylanilino)phenyl]-[1]benzosilolo[3,2-b][1]benzofuran-8-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[10,10-dimethyl-3-[4-(N-phenylanilino)phenyl]-[1]benzosilolo[3,2-b][1]benzofuran-8-yl]-N,N-diphenylaniline (CID 140845180) is 4-[10,10-dimethyl-3-[4-(N-phenylanilino)phenyl]-[1]benzosilolo[3,2-b][1]benzofuran-8-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[10,10-dimethyl-3-[4-(N-phenylanilino)phenyl]-[1]benzosilolo[3,2-b][1]benzofuran-8-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[10,10-dimethyl-3-[4-(N-phenylanilino)phenyl]-[1]benzosilolo[3,2-b][1]benzofuran-8-yl]-N,N-diphenylaniline is C[Si]1(C)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2-c2oc3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3c21.
What is the InChIKey of 4-[10,10-dimethyl-3-[4-(N-phenylanilino)phenyl]-[1]benzosilolo[3,2-b][1]benzofuran-8-yl]-N,N-diphenylaniline?
The InChIKey is NOLDIOHICPZCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H40N2OSi/c1-56(2)50-34-28-40(38-25-31-46(32-26-38)54(43-19-11-5-12-20-43)44-21-13-6-14-22-44)36-48(50)51-52(56)47-35-39(27-33-49(47)55-51)37-23-29-45(30-24-37)53(41-15-7-3-8-16-41)42-17-9-4-10-18-42/h3-36H,1-2H3.
What are the key properties of 4-[10,10-dimethyl-3-[4-(N-phenylanilino)phenyl]-[1]benzosilolo[3,2-b][1]benzofuran-8-yl]-N,N-diphenylaniline?
4-[10,10-dimethyl-3-[4-(N-phenylanilino)phenyl]-[1]benzosilolo[3,2-b][1]benzofuran-8-yl]-N,N-diphenylaniline has a molecular weight of 736.99 g/mol, XLogP of 13.51, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10,10-dimethyl-3-[4-(N-phenylanilino)phenyl]-[1]benzosilolo[3,2-b][1]benzofuran-8-yl]-N,N-diphenylaniline is sourced from PubChem (CID 140845180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).