N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-triphenylsilylphenyl)dibenzofuran-2-amine

C58H39NO2Si — CID 170941861

IUPACN-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-triphenylsilylphenyl)dibenzofuran-2-amine
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(N(c3ccc(-c4ccc5ccc6oc7ccccc7c6c5c4)cc3)c3ccc4oc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C58H39NO2Si/c1-4-14-46(15-5-1)62(47-16-6-2-7-17-47,48-18-8-3-9-19-48)49-34-31-44(32-35-49)59(45-33-37-56-53(39-45)50-20-10-12-22-54(50)60-56)43-29-26-40(27-30-43)42-25-24-41-28-36-57-58(52(41)38-42)51-21-11-13-23-55(51)61-57/h1-39H
InChIKeyAZYWMVJRJWKBRQ-UHFFFAOYSA-N
MW810.04 g/mol
LogP13.15
Rot. Bonds8

About N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-triphenylsilylphenyl)dibenzofuran-2-amine

N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-triphenylsilylphenyl)dibenzofuran-2-amine (PubChem CID 170941861) has the molecular formula C58H39NO2Si and a molecular weight of 810.04 g/mol. Its IUPAC name is N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-triphenylsilylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-triphenylsilylphenyl)dibenzofuran-2-amine
PubChem CID170941861
Molecular FormulaC58H39NO2Si
Molecular Weight810.04 g/mol
Exact Mass809.28
IUPAC NameN-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-triphenylsilylphenyl)dibenzofuran-2-amine
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(N(c3ccc(-c4ccc5ccc6oc7ccccc7c6c5c4)cc3)c3ccc4oc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C58H39NO2Si/c1-4-14-46(15-5-1)62(47-16-6-2-7-17-47,48-18-8-3-9-19-48)49-34-31-44(32-35-49)59(45-33-37-56-53(39-45)50-20-10-12-22-54(50)60-56)43-29-26-40(27-30-43)42-25-24-41-28-36-57-58(52(41)38-42)51-21-11-13-23-55(51)61-57/h1-39H
InChIKeyAZYWMVJRJWKBRQ-UHFFFAOYSA-N
XLogP13.15
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.04
LogP ≤ 513.15
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-dibenzofuran-2-ylphenyl)-4-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]aniline
CID 123398837
4-naphtho[2,1-b][1]benzofuran-3-yl-N-phenyl-N-(4-triphenylsilylphenyl)aniline
CID 170941889
N-phenyl-N-[3-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-2-amine
CID 170030263
N-phenanthren-9-yl-N-(4-triphenylsilylphenyl)dibenzofuran-2-amine;N-(4-phenylphenyl)-N-(4-triphenylsilylphenyl)dibenzofuran-2-amine;N-(4-phenylphenyl)-N-(4-triphenylsilylphenyl)naphtho[2,1-b][1]benzofuran-10-amine;N-phenyl-N-(4-triphenylsilylphenyl)dibenzofuran-2-amine
CID 157491247
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 176616741
N-(4-dibenzofuran-2-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 90350985
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176616745
N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine
CID 170030394
N-(4-dibenzofuran-3-ylphenyl)-N-phenanthren-3-yldibenzofuran-2-amine
CID 168810112
N-triphenylen-2-yl-N-(4-triphenylsilylphenyl)dibenzofuran-3-amine
CID 140709051
2-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-9-amine
CID 177130958
N-phenyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-2-yl)phenyl]dibenzofuran-2-amine
CID 176765348

Frequently Asked Questions

What is the IUPAC name of N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-triphenylsilylphenyl)dibenzofuran-2-amine?
The IUPAC name of N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-triphenylsilylphenyl)dibenzofuran-2-amine (CID 170941861) is N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-triphenylsilylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-triphenylsilylphenyl)dibenzofuran-2-amine?
The canonical SMILES for N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-triphenylsilylphenyl)dibenzofuran-2-amine is c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(N(c3ccc(-c4ccc5ccc6oc7ccccc7c6c5c4)cc3)c3ccc4oc5ccccc5c4c3)cc2)cc1.
What is the InChIKey of N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-triphenylsilylphenyl)dibenzofuran-2-amine?
The InChIKey is AZYWMVJRJWKBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39NO2Si/c1-4-14-46(15-5-1)62(47-16-6-2-7-17-47,48-18-8-3-9-19-48)49-34-31-44(32-35-49)59(45-33-37-56-53(39-45)50-20-10-12-22-54(50)60-56)43-29-26-40(27-30-43)42-25-24-41-28-36-57-58(52(41)38-42)51-21-11-13-23-55(51)61-57/h1-39H.
What are the key properties of N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-triphenylsilylphenyl)dibenzofuran-2-amine?
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-triphenylsilylphenyl)dibenzofuran-2-amine has a molecular weight of 810.04 g/mol, XLogP of 13.15, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-triphenylsilylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 170941861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).