N-[4-(7-phenyldibenzofuran-3-yl)phenyl]-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzothiophen-3-amine

C66H45NOSSi — CID 140709047

IUPACN-[4-(7-phenyldibenzofuran-3-yl)phenyl]-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzothiophen-3-amine
SMILESc1ccc(-c2ccc3c(c2)oc2cc(-c4ccc(N(c5ccc(-c6ccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)cc6)cc5)c5ccc6c(c5)sc5ccccc56)cc4)ccc23)cc1
InChIInChI=1S/C66H45NOSSi/c1-5-15-46(16-6-1)50-31-40-59-60-41-32-51(44-64(60)68-63(59)43-50)49-27-35-53(36-28-49)67(54-37-42-62-61-23-13-14-24-65(61)69-66(62)45-54)52-33-25-47(26-34-52)48-29-38-58(39-30-48)70(55-17-7-2-8-18-55,56-19-9-3-10-20-56)57-21-11-4-12-22-57/h1-45H
InChIKeyGDVURAVYTOXWHB-UHFFFAOYSA-N
MW928.25 g/mol
LogP15.80
Rot. Bonds10

About N-[4-(7-phenyldibenzofuran-3-yl)phenyl]-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzothiophen-3-amine

N-[4-(7-phenyldibenzofuran-3-yl)phenyl]-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzothiophen-3-amine (PubChem CID 140709047) has the molecular formula C66H45NOSSi and a molecular weight of 928.25 g/mol. Its IUPAC name is N-[4-(7-phenyldibenzofuran-3-yl)phenyl]-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-[4-(7-phenyldibenzofuran-3-yl)phenyl]-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzothiophen-3-amine
PubChem CID140709047
Molecular FormulaC66H45NOSSi
Molecular Weight928.25 g/mol
Exact Mass927.30
IUPAC NameN-[4-(7-phenyldibenzofuran-3-yl)phenyl]-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzothiophen-3-amine
SMILESc1ccc(-c2ccc3c(c2)oc2cc(-c4ccc(N(c5ccc(-c6ccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)cc6)cc5)c5ccc6c(c5)sc5ccccc56)cc4)ccc23)cc1
InChIInChI=1S/C66H45NOSSi/c1-5-15-46(16-6-1)50-31-40-59-60-41-32-51(44-64(60)68-63(59)43-50)49-27-35-53(36-28-49)67(54-37-42-62-61-23-13-14-24-65(61)69-66(62)45-54)52-33-25-47(26-34-52)48-29-38-58(39-30-48)70(55-17-7-2-8-18-55,56-19-9-3-10-20-56)57-21-11-4-12-22-57/h1-45H
InChIKeyGDVURAVYTOXWHB-UHFFFAOYSA-N
XLogP15.80
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500928.25
LogP ≤ 515.80
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

7-N-dibenzothiophen-3-yl-3-N,3-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-3,7-diamine
CID 146573933
N,7-diphenyl-N-[4-(3-triphenylsilylphenyl)phenyl]dibenzothiophen-3-amine;N-naphthalen-1-yl-7-phenyl-N-[4-(3-triphenylsilylphenyl)phenyl]dibenzothiophen-3-amine;N-(7-phenyldibenzothiophen-3-yl)-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzofuran-3-amine;7-phenyl-N-(4-phenylphenyl)-N-[4-(3-triphenylsilylphenyl)phenyl]dibenzothiophen-3-amine
CID 157497909
N-[4-[4-(N-dibenzothiophen-2-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 161374051
7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzofuran-2,7-diamine
CID 176781504
N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 167123231
N-dibenzothiophen-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 154031425
N,7-diphenyl-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzothiophen-3-amine;N-(4-naphthalen-1-ylphenyl)-7-phenyl-N-(3-triphenylsilylphenyl)dibenzothiophen-3-amine;N-(7-phenyldibenzothiophen-3-yl)-N-(3-triphenylsilylphenyl)dibenzofuran-3-amine;7-phenyl-N-(3-phenylphenyl)-N-(3-triphenylsilylphenyl)dibenzothiophen-3-amine
CID 163981755
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129085217
N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]aniline
CID 123398837
2-N-dibenzofuran-3-yl-7-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 146574016
N-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-N-(3-phenylphenyl)dibenzothiophen-3-amine
CID 170033292
N-(4-naphthalen-1-ylphenyl)-7-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzothiophen-3-amine;N-naphthalen-1-yl-7-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzothiophen-3-amine;N-(7-phenyldibenzothiophen-3-yl)-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzofuran-3-amine;7-phenyl-N-(2-phenylphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzothiophen-3-amine
CID 163707949

Frequently Asked Questions

What is the IUPAC name of N-[4-(7-phenyldibenzofuran-3-yl)phenyl]-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzothiophen-3-amine?
The IUPAC name of N-[4-(7-phenyldibenzofuran-3-yl)phenyl]-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzothiophen-3-amine (CID 140709047) is N-[4-(7-phenyldibenzofuran-3-yl)phenyl]-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzothiophen-3-amine.
What is the SMILES notation for N-[4-(7-phenyldibenzofuran-3-yl)phenyl]-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzothiophen-3-amine?
The canonical SMILES for N-[4-(7-phenyldibenzofuran-3-yl)phenyl]-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzothiophen-3-amine is c1ccc(-c2ccc3c(c2)oc2cc(-c4ccc(N(c5ccc(-c6ccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)cc6)cc5)c5ccc6c(c5)sc5ccccc56)cc4)ccc23)cc1.
What is the InChIKey of N-[4-(7-phenyldibenzofuran-3-yl)phenyl]-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzothiophen-3-amine?
The InChIKey is GDVURAVYTOXWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45NOSSi/c1-5-15-46(16-6-1)50-31-40-59-60-41-32-51(44-64(60)68-63(59)43-50)49-27-35-53(36-28-49)67(54-37-42-62-61-23-13-14-24-65(61)69-66(62)45-54)52-33-25-47(26-34-52)48-29-38-58(39-30-48)70(55-17-7-2-8-18-55,56-19-9-3-10-20-56)57-21-11-4-12-22-57/h1-45H.
What are the key properties of N-[4-(7-phenyldibenzofuran-3-yl)phenyl]-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzothiophen-3-amine?
N-[4-(7-phenyldibenzofuran-3-yl)phenyl]-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzothiophen-3-amine has a molecular weight of 928.25 g/mol, XLogP of 15.80, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7-phenyldibenzofuran-3-yl)phenyl]-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzothiophen-3-amine is sourced from PubChem (CID 140709047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).