2-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)-8-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine

C64H41NO2 — CID 176630547

IUPAC2-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)-8-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cc(-c4ccc5oc6ccccc6c5c4)cc4c3oc3ccc(-c5ccccc5-c5ccccc5)cc34)cc2)cc1
InChIInChI=1S/C64H41NO2/c1-3-13-42(14-4-1)44-25-31-52(32-26-44)65(53-33-27-45(28-34-53)48-24-23-43-15-7-8-18-47(43)37-48)60-41-51(49-29-35-62-57(38-49)56-21-11-12-22-61(56)66-62)40-59-58-39-50(30-36-63(58)67-64(59)60)55-20-10-9-19-54(55)46-16-5-2-6-17-46/h1-41H
InChIKeyNSDMWKWHGIMJCD-UHFFFAOYSA-N
MW856.04 g/mol
LogP18.44
Rot. Bonds8

About 2-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)-8-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine

2-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)-8-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine (PubChem CID 176630547) has the molecular formula C64H41NO2 and a molecular weight of 856.04 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)-8-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)-8-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine
PubChem CID176630547
Molecular FormulaC64H41NO2
Molecular Weight856.04 g/mol
Exact Mass855.31
IUPAC Name2-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)-8-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cc(-c4ccc5oc6ccccc6c5c4)cc4c3oc3ccc(-c5ccccc5-c5ccccc5)cc34)cc2)cc1
InChIInChI=1S/C64H41NO2/c1-3-13-42(14-4-1)44-25-31-52(32-26-44)65(53-33-27-45(28-34-53)48-24-23-43-15-7-8-18-47(43)37-48)60-41-51(49-29-35-62-57(38-49)56-21-11-12-22-61(56)66-62)40-59-58-39-50(30-36-63(58)67-64(59)60)55-20-10-9-19-54(55)46-16-5-2-6-17-46/h1-41H
InChIKeyNSDMWKWHGIMJCD-UHFFFAOYSA-N
XLogP18.44
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500856.04
LogP ≤ 518.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzofuran-4-yl-N-(4-naphthalen-2-ylphenyl)-2,6-diphenyldibenzofuran-4-amine
CID 168771989
N-(4-dibenzofuran-2-ylphenyl)-4-(3-naphthalen-2-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 166566167
4-(2-naphthalen-2-yldibenzofuran-4-yl)-N,N-diphenylaniline;2-phenyl-N-[4-(2-phenyldibenzofuran-4-yl)phenyl]-N-(4-phenylphenyl)aniline;N-phenyl-N-[4-(2-phenyldibenzofuran-4-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 161024145
N-[4-(3,4-diphenylphenyl)phenyl]-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-2-amine
CID 167233976
2-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 167324670
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-2-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168805171
N-(4-naphthalen-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-1-amine
CID 168805244
N-(2-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 167326443
4-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 58510830
2-dibenzofuran-2-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167325244
3-dibenzofuran-2-yl-N-[4-(2,5-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 170535101
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396923

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)-8-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine?
The IUPAC name of 2-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)-8-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine (CID 176630547) is 2-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)-8-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for 2-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)-8-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for 2-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)-8-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cc(-c4ccc5oc6ccccc6c5c4)cc4c3oc3ccc(-c5ccccc5-c5ccccc5)cc34)cc2)cc1.
What is the InChIKey of 2-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)-8-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine?
The InChIKey is NSDMWKWHGIMJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41NO2/c1-3-13-42(14-4-1)44-25-31-52(32-26-44)65(53-33-27-45(28-34-53)48-24-23-43-15-7-8-18-47(43)37-48)60-41-51(49-29-35-62-57(38-49)56-21-11-12-22-61(56)66-62)40-59-58-39-50(30-36-63(58)67-64(59)60)55-20-10-9-19-54(55)46-16-5-2-6-17-46/h1-41H.
What are the key properties of 2-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)-8-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine?
2-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)-8-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine has a molecular weight of 856.04 g/mol, XLogP of 18.44, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)-8-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 176630547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).