N-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-3-amine

C64H44N2O — CID 167086989

IUPACN-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4cccc(N(c5cccc(-c6ccccc6)c5)c5ccc6c(c5)oc5ccccc56)c4)c3)c3ccc4cc(-c5ccccc5)ccc4c3)cc2)cc1
InChIInChI=1S/C64H44N2O/c1-4-15-45(16-5-1)48-31-34-55(35-32-48)65(59-36-33-53-39-52(29-30-54(53)43-59)47-19-8-3-9-20-47)56-24-13-22-50(41-56)51-23-14-26-58(42-51)66(57-25-12-21-49(40-57)46-17-6-2-7-18-46)60-37-38-62-61-27-10-11-28-63(61)67-64(62)44-60/h1-44H
InChIKeyGRGATPAQEINHCT-UHFFFAOYSA-N
MW857.07 g/mol
LogP18.35
Rot. Bonds10

About N-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-3-amine

N-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-3-amine (PubChem CID 167086989) has the molecular formula C64H44N2O and a molecular weight of 857.07 g/mol. Its IUPAC name is N-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-3-amine
PubChem CID167086989
Molecular FormulaC64H44N2O
Molecular Weight857.07 g/mol
Exact Mass856.35
IUPAC NameN-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4cccc(N(c5cccc(-c6ccccc6)c5)c5ccc6c(c5)oc5ccccc56)c4)c3)c3ccc4cc(-c5ccccc5)ccc4c3)cc2)cc1
InChIInChI=1S/C64H44N2O/c1-4-15-45(16-5-1)48-31-34-55(35-32-48)65(59-36-33-53-39-52(29-30-54(53)43-59)47-19-8-3-9-20-47)56-24-13-22-50(41-56)51-23-14-26-58(42-51)66(57-25-12-21-49(40-57)46-17-6-2-7-18-46)60-37-38-62-61-27-10-11-28-63(61)67-64(62)44-60/h1-44H
InChIKeyGRGATPAQEINHCT-UHFFFAOYSA-N
XLogP18.35
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500857.07
LogP ≤ 518.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167324392
N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline
CID 167324119
N-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-phenyldibenzofuran-3-amine
CID 174256551
N-dibenzofuran-3-yl-N-[3-(7-phenylphenanthren-2-yl)phenyl]dibenzofuran-3-amine
CID 138743078
N-(6-naphthalen-2-ylnaphthalen-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176587573
N-(4-phenylphenyl)-N-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 118924585
N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 121311330
3-[3-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline;N-[3-[3-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;3-[3-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 158904441
3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 167086964
3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-diphenylaniline
CID 167086965
N-(4-dibenzofuran-3-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-3,5-diphenylaniline
CID 167323705
N-(4-phenylphenyl)-N-[4-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 160832647

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-3-amine?
The IUPAC name of N-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-3-amine (CID 167086989) is N-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-3-amine is c1ccc(-c2ccc(N(c3cccc(-c4cccc(N(c5cccc(-c6ccccc6)c5)c5ccc6c(c5)oc5ccccc56)c4)c3)c3ccc4cc(-c5ccccc5)ccc4c3)cc2)cc1.
What is the InChIKey of N-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-3-amine?
The InChIKey is GRGATPAQEINHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N2O/c1-4-15-45(16-5-1)48-31-34-55(35-32-48)65(59-36-33-53-39-52(29-30-54(53)43-59)47-19-8-3-9-20-47)56-24-13-22-50(41-56)51-23-14-26-58(42-51)66(57-25-12-21-49(40-57)46-17-6-2-7-18-46)60-37-38-62-61-27-10-11-28-63(61)67-64(62)44-60/h1-44H.
What are the key properties of N-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-3-amine?
N-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-3-amine has a molecular weight of 857.07 g/mol, XLogP of 18.35, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 167086989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).