4-naphtho[2,1-b][1]benzofuran-3-yl-N-phenyl-N-(4-triphenylsilylphenyl)aniline

C52H37NOSi — CID 170941889

IUPAC4-naphtho[2,1-b][1]benzofuran-3-yl-N-phenyl-N-(4-triphenylsilylphenyl)aniline
SMILESc1ccc(N(c2ccc(-c3ccc4c(ccc5oc6ccccc6c54)c3)cc2)c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C52H37NOSi/c1-5-15-41(16-6-1)53(42-29-25-38(26-30-42)39-27-35-48-40(37-39)28-36-51-52(48)49-23-13-14-24-50(49)54-51)43-31-33-47(34-32-43)55(44-17-7-2-8-18-44,45-19-9-3-10-20-45)46-21-11-4-12-22-46/h1-37H
InChIKeyWVOOTGHLTWMXOD-UHFFFAOYSA-N
MW719.96 g/mol
LogP11.25
Rot. Bonds8

About 4-naphtho[2,1-b][1]benzofuran-3-yl-N-phenyl-N-(4-triphenylsilylphenyl)aniline

4-naphtho[2,1-b][1]benzofuran-3-yl-N-phenyl-N-(4-triphenylsilylphenyl)aniline (PubChem CID 170941889) has the molecular formula C52H37NOSi and a molecular weight of 719.96 g/mol. Its IUPAC name is 4-naphtho[2,1-b][1]benzofuran-3-yl-N-phenyl-N-(4-triphenylsilylphenyl)aniline.

Molecular Properties

Compound Name4-naphtho[2,1-b][1]benzofuran-3-yl-N-phenyl-N-(4-triphenylsilylphenyl)aniline
PubChem CID170941889
Molecular FormulaC52H37NOSi
Molecular Weight719.96 g/mol
Exact Mass719.26
IUPAC Name4-naphtho[2,1-b][1]benzofuran-3-yl-N-phenyl-N-(4-triphenylsilylphenyl)aniline
SMILESc1ccc(N(c2ccc(-c3ccc4c(ccc5oc6ccccc6c54)c3)cc2)c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C52H37NOSi/c1-5-15-41(16-6-1)53(42-29-25-38(26-30-42)39-27-35-48-40(37-39)28-36-51-52(48)49-23-13-14-24-50(49)54-51)43-31-33-47(34-32-43)55(44-17-7-2-8-18-44,45-19-9-3-10-20-45)46-21-11-4-12-22-46/h1-37H
InChIKeyWVOOTGHLTWMXOD-UHFFFAOYSA-N
XLogP11.25
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.96
LogP ≤ 511.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)phenyl]-N,4-diphenylaniline
CID 170127431
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-triphenylsilylphenyl)dibenzofuran-2-amine
CID 170941861
N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]aniline
CID 123398837
3-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170030567
N-(4-naphthalen-1-ylphenyl)-4-naphtho[2,1-b][1]benzofuran-3-yl-N-phenylaniline
CID 170030516
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-phenyl-N-[3-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-2-amine
CID 170030263
4-naphtho[2,1-b][1]benzofuran-3-yl-N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 135195814
N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine
CID 170030394
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176616745
N-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)-3-phenylnaphtho[2,1-b][1]benzofuran-10-amine
CID 177130873
N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine
CID 170030395

Frequently Asked Questions

What is the IUPAC name of 4-naphtho[2,1-b][1]benzofuran-3-yl-N-phenyl-N-(4-triphenylsilylphenyl)aniline?
The IUPAC name of 4-naphtho[2,1-b][1]benzofuran-3-yl-N-phenyl-N-(4-triphenylsilylphenyl)aniline (CID 170941889) is 4-naphtho[2,1-b][1]benzofuran-3-yl-N-phenyl-N-(4-triphenylsilylphenyl)aniline.
What is the SMILES notation for 4-naphtho[2,1-b][1]benzofuran-3-yl-N-phenyl-N-(4-triphenylsilylphenyl)aniline?
The canonical SMILES for 4-naphtho[2,1-b][1]benzofuran-3-yl-N-phenyl-N-(4-triphenylsilylphenyl)aniline is c1ccc(N(c2ccc(-c3ccc4c(ccc5oc6ccccc6c54)c3)cc2)c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-naphtho[2,1-b][1]benzofuran-3-yl-N-phenyl-N-(4-triphenylsilylphenyl)aniline?
The InChIKey is WVOOTGHLTWMXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37NOSi/c1-5-15-41(16-6-1)53(42-29-25-38(26-30-42)39-27-35-48-40(37-39)28-36-51-52(48)49-23-13-14-24-50(49)54-51)43-31-33-47(34-32-43)55(44-17-7-2-8-18-44,45-19-9-3-10-20-45)46-21-11-4-12-22-46/h1-37H.
What are the key properties of 4-naphtho[2,1-b][1]benzofuran-3-yl-N-phenyl-N-(4-triphenylsilylphenyl)aniline?
4-naphtho[2,1-b][1]benzofuran-3-yl-N-phenyl-N-(4-triphenylsilylphenyl)aniline has a molecular weight of 719.96 g/mol, XLogP of 11.25, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphtho[2,1-b][1]benzofuran-3-yl-N-phenyl-N-(4-triphenylsilylphenyl)aniline is sourced from PubChem (CID 170941889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).