4-dibenzofuran-3-yl-3,5-diphenyl-N,N-bis(3-phenylphenyl)aniline

C54H37NO — CID 121341024

IUPAC4-dibenzofuran-3-yl-3,5-diphenyl-N,N-bis(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(N(c3cccc(-c4ccccc4)c3)c3cc(-c4ccccc4)c(-c4ccc5c(c4)oc4ccccc45)c(-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C54H37NO/c1-5-17-38(18-6-1)42-25-15-27-45(33-42)55(46-28-16-26-43(34-46)39-19-7-2-8-20-39)47-36-50(40-21-9-3-10-22-40)54(51(37-47)41-23-11-4-12-24-41)44-31-32-49-48-29-13-14-30-52(48)56-53(49)35-44/h1-37H
InChIKeyAMNUMXRNZQYDRE-UHFFFAOYSA-N
MW715.90 g/mol
LogP15.39
Rot. Bonds8

About 4-dibenzofuran-3-yl-3,5-diphenyl-N,N-bis(3-phenylphenyl)aniline

4-dibenzofuran-3-yl-3,5-diphenyl-N,N-bis(3-phenylphenyl)aniline (PubChem CID 121341024) has the molecular formula C54H37NO and a molecular weight of 715.90 g/mol. Its IUPAC name is 4-dibenzofuran-3-yl-3,5-diphenyl-N,N-bis(3-phenylphenyl)aniline.

Molecular Properties

Compound Name4-dibenzofuran-3-yl-3,5-diphenyl-N,N-bis(3-phenylphenyl)aniline
PubChem CID121341024
Molecular FormulaC54H37NO
Molecular Weight715.90 g/mol
Exact Mass715.29
IUPAC Name4-dibenzofuran-3-yl-3,5-diphenyl-N,N-bis(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(N(c3cccc(-c4ccccc4)c3)c3cc(-c4ccccc4)c(-c4ccc5c(c4)oc4ccccc45)c(-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C54H37NO/c1-5-17-38(18-6-1)42-25-15-27-45(33-42)55(46-28-16-26-43(34-46)39-19-7-2-8-20-39)47-36-50(40-21-9-3-10-22-40)54(51(37-47)41-23-11-4-12-24-41)44-31-32-49-48-29-13-14-30-52(48)56-53(49)35-44/h1-37H
InChIKeyAMNUMXRNZQYDRE-UHFFFAOYSA-N
XLogP15.39
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.90
LogP ≤ 515.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-dibenzofuran-3-yl-3,5-diphenyl-N,N-bis(2-phenylphenyl)aniline;4-dibenzofuran-3-yl-3,5-diphenyl-N,N-bis(3-phenylphenyl)aniline;N-(4-dibenzofuran-3-yl-3,5-diphenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 160765830
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,N-bis(4-dibenzofuran-3-ylphenyl)-3-(2-phenylphenyl)aniline
CID 129130047
N-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-N,3-diphenylaniline;N-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 161375277
N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 121311330
N-(4-phenylphenyl)-N-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 118924585
N-(3-phenylphenyl)-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[3-[4-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 158679681
2-dibenzofuran-3-yl-3-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 170665632
N-(3-phenylphenyl)-N-[4-(5,6,7,8-tetraphenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 158852047
N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118186800
N-(4-phenanthren-1-yl-3,5-diphenylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 170066113

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-3-yl-3,5-diphenyl-N,N-bis(3-phenylphenyl)aniline?
The IUPAC name of 4-dibenzofuran-3-yl-3,5-diphenyl-N,N-bis(3-phenylphenyl)aniline (CID 121341024) is 4-dibenzofuran-3-yl-3,5-diphenyl-N,N-bis(3-phenylphenyl)aniline.
What is the SMILES notation for 4-dibenzofuran-3-yl-3,5-diphenyl-N,N-bis(3-phenylphenyl)aniline?
The canonical SMILES for 4-dibenzofuran-3-yl-3,5-diphenyl-N,N-bis(3-phenylphenyl)aniline is c1ccc(-c2cccc(N(c3cccc(-c4ccccc4)c3)c3cc(-c4ccccc4)c(-c4ccc5c(c4)oc4ccccc45)c(-c4ccccc4)c3)c2)cc1.
What is the InChIKey of 4-dibenzofuran-3-yl-3,5-diphenyl-N,N-bis(3-phenylphenyl)aniline?
The InChIKey is AMNUMXRNZQYDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37NO/c1-5-17-38(18-6-1)42-25-15-27-45(33-42)55(46-28-16-26-43(34-46)39-19-7-2-8-20-39)47-36-50(40-21-9-3-10-22-40)54(51(37-47)41-23-11-4-12-24-41)44-31-32-49-48-29-13-14-30-52(48)56-53(49)35-44/h1-37H.
What are the key properties of 4-dibenzofuran-3-yl-3,5-diphenyl-N,N-bis(3-phenylphenyl)aniline?
4-dibenzofuran-3-yl-3,5-diphenyl-N,N-bis(3-phenylphenyl)aniline has a molecular weight of 715.90 g/mol, XLogP of 15.39, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-3-yl-3,5-diphenyl-N,N-bis(3-phenylphenyl)aniline is sourced from PubChem (CID 121341024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).