N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-triphenylsilylphenyl)dibenzofuran-4-amine

C60H41NOSSi — CID 158231875

IUPACN-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-triphenylsilylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2cc(-c3cccc4c3sc3ccccc34)cc(N(c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C60H41NOSSi/c1-5-19-42(20-6-1)43-39-44(51-29-17-31-55-53-28-14-16-34-58(53)63-60(51)55)41-46(40-43)61(56-32-18-30-54-52-27-13-15-33-57(52)62-59(54)56)45-35-37-50(38-36-45)64(47-21-7-2-8-22-47,48-23-9-3-10-24-48)49-25-11-4-12-26-49/h1-41H
InChIKeyHMNKCXUWPCPYBA-UHFFFAOYSA-N
MW852.15 g/mol
LogP14.14
Rot. Bonds9

About N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-triphenylsilylphenyl)dibenzofuran-4-amine

N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-triphenylsilylphenyl)dibenzofuran-4-amine (PubChem CID 158231875) has the molecular formula C60H41NOSSi and a molecular weight of 852.15 g/mol. Its IUPAC name is N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-triphenylsilylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-triphenylsilylphenyl)dibenzofuran-4-amine
PubChem CID158231875
Molecular FormulaC60H41NOSSi
Molecular Weight852.15 g/mol
Exact Mass851.27
IUPAC NameN-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-triphenylsilylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2cc(-c3cccc4c3sc3ccccc34)cc(N(c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C60H41NOSSi/c1-5-19-42(20-6-1)43-39-44(51-29-17-31-55-53-28-14-16-34-58(53)63-60(51)55)41-46(40-43)61(56-32-18-30-54-52-27-13-15-33-57(52)62-59(54)56)45-35-37-50(38-36-45)64(47-21-7-2-8-22-47,48-23-9-3-10-24-48)49-25-11-4-12-26-49/h1-41H
InChIKeyHMNKCXUWPCPYBA-UHFFFAOYSA-N
XLogP14.14
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500852.15
LogP ≤ 514.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzofuran-4-amine;N-[4-(4-phenylphenyl)phenyl]-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzofuran-4-amine
CID 159714421
N-(4-dibenzothiophen-3-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)dibenzofuran-4-amine
CID 164971694
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(2-phenyldibenzofuran-4-yl)phenyl]aniline
CID 140919340
N-dibenzothiophen-4-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 163662266
N-(6-phenyldibenzothiophen-1-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 163482612
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501986
N-(4-phenylphenyl)-N-(28-thiaoctacyclo[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-yl)dibenzofuran-4-amine
CID 130464753
N-[4-(2-phenyldibenzofuran-4-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 140919317
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3,5-diphenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3,5-diphenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline
CID 159251847
N-(4-dibenzofuran-4-ylphenyl)-N-(3,5-diphenylphenyl)-1-phenyldibenzothiophen-4-amine
CID 171434894
N-(4-dibenzothiophen-4-yl-3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-4-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-triphenylsilylphenyl)dibenzofuran-4-amine
CID 160756023
N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]aniline
CID 159600768

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-triphenylsilylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-triphenylsilylphenyl)dibenzofuran-4-amine (CID 158231875) is N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-triphenylsilylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-triphenylsilylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-triphenylsilylphenyl)dibenzofuran-4-amine is c1ccc(-c2cc(-c3cccc4c3sc3ccccc34)cc(N(c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c3cccc4c3oc3ccccc34)c2)cc1.
What is the InChIKey of N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-triphenylsilylphenyl)dibenzofuran-4-amine?
The InChIKey is HMNKCXUWPCPYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41NOSSi/c1-5-19-42(20-6-1)43-39-44(51-29-17-31-55-53-28-14-16-34-58(53)63-60(51)55)41-46(40-43)61(56-32-18-30-54-52-27-13-15-33-57(52)62-59(54)56)45-35-37-50(38-36-45)64(47-21-7-2-8-22-47,48-23-9-3-10-24-48)49-25-11-4-12-26-49/h1-41H.
What are the key properties of N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-triphenylsilylphenyl)dibenzofuran-4-amine?
N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-triphenylsilylphenyl)dibenzofuran-4-amine has a molecular weight of 852.15 g/mol, XLogP of 14.14, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-triphenylsilylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 158231875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).