N-[4-[4-(N-dibenzofuran-1-ylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-1-amine

C54H36N2O2 — CID 146582237

IUPACN-[4-[4-(N-dibenzofuran-1-ylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-1-amine
SMILESc1ccc(-c2cc(-c3ccc(N(c4ccccc4)c4cccc5oc6ccccc6c45)cc3)ccc2N(c2ccccc2)c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C54H36N2O2/c1-4-16-38(17-5-1)45-36-39(32-35-46(45)56(41-20-8-3-9-21-41)48-25-15-29-52-54(48)44-23-11-13-27-50(44)58-52)37-30-33-42(34-31-37)55(40-18-6-2-7-19-40)47-24-14-28-51-53(47)43-22-10-12-26-49(43)57-51/h1-36H
InChIKeyGKTBIHPOIXYWFA-UHFFFAOYSA-N
MW744.89 g/mol
LogP15.76
Rot. Bonds8

About N-[4-[4-(N-dibenzofuran-1-ylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-1-amine

N-[4-[4-(N-dibenzofuran-1-ylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-1-amine (PubChem CID 146582237) has the molecular formula C54H36N2O2 and a molecular weight of 744.89 g/mol. Its IUPAC name is N-[4-[4-(N-dibenzofuran-1-ylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-1-amine.

Molecular Properties

Compound NameN-[4-[4-(N-dibenzofuran-1-ylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-1-amine
PubChem CID146582237
Molecular FormulaC54H36N2O2
Molecular Weight744.89 g/mol
Exact Mass744.28
IUPAC NameN-[4-[4-(N-dibenzofuran-1-ylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-1-amine
SMILESc1ccc(-c2cc(-c3ccc(N(c4ccccc4)c4cccc5oc6ccccc6c45)cc3)ccc2N(c2ccccc2)c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C54H36N2O2/c1-4-16-38(17-5-1)45-36-39(32-35-46(45)56(41-20-8-3-9-21-41)48-25-15-29-52-54(48)44-23-11-13-27-50(44)58-52)37-30-33-42(34-31-37)55(40-18-6-2-7-19-40)47-24-14-28-51-53(47)43-22-10-12-26-49(43)57-51/h1-36H
InChIKeyGKTBIHPOIXYWFA-UHFFFAOYSA-N
XLogP15.76
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.89
LogP ≤ 515.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-(N-dibenzofuran-1-ylanilino)-3-naphthalen-2-ylphenyl]phenyl]-N-phenyldibenzofuran-1-amine
CID 146583032
N-[4-[4-(N-dibenzofuran-4-yl-4-phenylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 146582246
N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 172502312
N-[3-[3-[N-dibenzofuran-1-yl-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 167086573
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186962
2-dibenzofuran-1-yl-N-(2,4-diphenylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
CID 170665979
N-(2-dibenzofuran-1-ylphenyl)-N-phenyldibenzofuran-1-amine;N-(2-dibenzofuran-1-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-1-amine;N-(2-dibenzofuran-1-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine;N-(2-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine;N-(2-dibenzofuran-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 158387257
N-(4-dibenzofuran-1-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186946
N-(4-dibenzofuran-1-ylphenyl)-2,4-diphenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170294710
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186868
N-(2-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 155186765
N-[3-[3-(N-dibenzofuran-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 167086811

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(N-dibenzofuran-1-ylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-1-amine?
The IUPAC name of N-[4-[4-(N-dibenzofuran-1-ylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-1-amine (CID 146582237) is N-[4-[4-(N-dibenzofuran-1-ylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-1-amine.
What is the SMILES notation for N-[4-[4-(N-dibenzofuran-1-ylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-1-amine?
The canonical SMILES for N-[4-[4-(N-dibenzofuran-1-ylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-1-amine is c1ccc(-c2cc(-c3ccc(N(c4ccccc4)c4cccc5oc6ccccc6c45)cc3)ccc2N(c2ccccc2)c2cccc3oc4ccccc4c23)cc1.
What is the InChIKey of N-[4-[4-(N-dibenzofuran-1-ylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-1-amine?
The InChIKey is GKTBIHPOIXYWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2O2/c1-4-16-38(17-5-1)45-36-39(32-35-46(45)56(41-20-8-3-9-21-41)48-25-15-29-52-54(48)44-23-11-13-27-50(44)58-52)37-30-33-42(34-31-37)55(40-18-6-2-7-19-40)47-24-14-28-51-53(47)43-22-10-12-26-49(43)57-51/h1-36H.
What are the key properties of N-[4-[4-(N-dibenzofuran-1-ylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-1-amine?
N-[4-[4-(N-dibenzofuran-1-ylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-1-amine has a molecular weight of 744.89 g/mol, XLogP of 15.76, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(N-dibenzofuran-1-ylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-1-amine is sourced from PubChem (CID 146582237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).