N-(4-dibenzofuran-2-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-1-amine

C60H39NO2 — CID 172502866

IUPACN-(4-dibenzofuran-2-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccccc2-c2ccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3cccc4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C60H39NO2/c1-2-15-41(16-3-1)46-17-4-6-19-48(46)50-21-8-9-22-51(50)49-20-7-5-18-47(49)42-31-36-45(37-32-42)61(55-25-14-28-59-60(55)53-24-11-13-27-57(53)63-59)44-34-29-40(30-35-44)43-33-38-58-54(39-43)52-23-10-12-26-56(52)62-58/h1-39H
InChIKeyVGYTVEUACKIGLY-UHFFFAOYSA-N
MW805.98 g/mol
LogP17.29
Rot. Bonds8

About N-(4-dibenzofuran-2-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-1-amine

N-(4-dibenzofuran-2-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-1-amine (PubChem CID 172502866) has the molecular formula C60H39NO2 and a molecular weight of 805.98 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-2-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-1-amine
PubChem CID172502866
Molecular FormulaC60H39NO2
Molecular Weight805.98 g/mol
Exact Mass805.30
IUPAC NameN-(4-dibenzofuran-2-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccccc2-c2ccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3cccc4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C60H39NO2/c1-2-15-41(16-3-1)46-17-4-6-19-48(46)50-21-8-9-22-51(50)49-20-7-5-18-47(49)42-31-36-45(37-32-42)61(55-25-14-28-59-60(55)53-24-11-13-27-57(53)63-59)44-34-29-40(30-35-44)43-33-38-58-54(39-43)52-23-10-12-26-56(52)62-58/h1-39H
InChIKeyVGYTVEUACKIGLY-UHFFFAOYSA-N
XLogP17.29
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.98
LogP ≤ 517.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 168804546
N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 172502312
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 147363119
N-(2-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 155186723
N-[4-(6-phenylnaphthalen-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 154605702
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186962
N-[4-(4-phenylphenyl)phenyl]-N-[2-[5-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 172502864
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186868
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 168805440
N-(4-dibenzofuran-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline
CID 168789235
N-(4-phenylphenyl)-N-tetraphenylen-2-yldibenzofuran-1-amine
CID 139297932
N-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 157368464

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-1-amine?
The IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-1-amine (CID 172502866) is N-(4-dibenzofuran-2-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-(4-dibenzofuran-2-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-(4-dibenzofuran-2-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-1-amine is c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2-c2ccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3cccc4oc5ccccc5c34)cc2)cc1.
What is the InChIKey of N-(4-dibenzofuran-2-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-1-amine?
The InChIKey is VGYTVEUACKIGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39NO2/c1-2-15-41(16-3-1)46-17-4-6-19-48(46)50-21-8-9-22-51(50)49-20-7-5-18-47(49)42-31-36-45(37-32-42)61(55-25-14-28-59-60(55)53-24-11-13-27-57(53)63-59)44-34-29-40(30-35-44)43-33-38-58-54(39-43)52-23-10-12-26-56(52)62-58/h1-39H.
What are the key properties of N-(4-dibenzofuran-2-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-1-amine?
N-(4-dibenzofuran-2-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-1-amine has a molecular weight of 805.98 g/mol, XLogP of 17.29, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-2-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 172502866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).