N,N-bis(4-dibenzofuran-3-ylphenyl)-3-(2-phenylphenyl)aniline

C54H35NO2 — CID 129130047

IUPACN,N-bis(4-dibenzofuran-3-ylphenyl)-3-(2-phenylphenyl)aniline
SMILESc1ccc(-c2ccccc2-c2cccc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c2)cc1
InChIInChI=1S/C54H35NO2/c1-2-11-38(12-3-1)45-15-4-5-16-46(45)41-13-10-14-44(33-41)55(42-27-21-36(22-28-42)39-25-31-49-47-17-6-8-19-51(47)56-53(49)34-39)43-29-23-37(24-30-43)40-26-32-50-48-18-7-9-20-52(48)57-54(50)35-40/h1-35H
InChIKeyBSHZERMXIPYDAE-UHFFFAOYSA-N
MW729.88 g/mol
LogP15.62
Rot. Bonds7

About N,N-bis(4-dibenzofuran-3-ylphenyl)-3-(2-phenylphenyl)aniline

N,N-bis(4-dibenzofuran-3-ylphenyl)-3-(2-phenylphenyl)aniline (PubChem CID 129130047) has the molecular formula C54H35NO2 and a molecular weight of 729.88 g/mol. Its IUPAC name is N,N-bis(4-dibenzofuran-3-ylphenyl)-3-(2-phenylphenyl)aniline.

Molecular Properties

Compound NameN,N-bis(4-dibenzofuran-3-ylphenyl)-3-(2-phenylphenyl)aniline
PubChem CID129130047
Molecular FormulaC54H35NO2
Molecular Weight729.88 g/mol
Exact Mass729.27
IUPAC NameN,N-bis(4-dibenzofuran-3-ylphenyl)-3-(2-phenylphenyl)aniline
SMILESc1ccc(-c2ccccc2-c2cccc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c2)cc1
InChIInChI=1S/C54H35NO2/c1-2-11-38(12-3-1)45-15-4-5-16-46(45)41-13-10-14-44(33-41)55(42-27-21-36(22-28-42)39-25-31-49-47-17-6-8-19-51(47)56-53(49)34-39)43-29-23-37(24-30-43)40-26-32-50-48-18-7-9-20-52(48)57-54(50)35-40/h1-35H
InChIKeyBSHZERMXIPYDAE-UHFFFAOYSA-N
XLogP15.62
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.88
LogP ≤ 515.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-diphenylaniline
CID 167086965
3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 167086964
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-(4-phenylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 172501001
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-3-(2-phenylphenyl)aniline
CID 153314748
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-(4-phenylphenyl)phenyl]-N-[3-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 168788653
3-[4-[2,4-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 121449953

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-dibenzofuran-3-ylphenyl)-3-(2-phenylphenyl)aniline?
The IUPAC name of N,N-bis(4-dibenzofuran-3-ylphenyl)-3-(2-phenylphenyl)aniline (CID 129130047) is N,N-bis(4-dibenzofuran-3-ylphenyl)-3-(2-phenylphenyl)aniline.
What is the SMILES notation for N,N-bis(4-dibenzofuran-3-ylphenyl)-3-(2-phenylphenyl)aniline?
The canonical SMILES for N,N-bis(4-dibenzofuran-3-ylphenyl)-3-(2-phenylphenyl)aniline is c1ccc(-c2ccccc2-c2cccc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c2)cc1.
What is the InChIKey of N,N-bis(4-dibenzofuran-3-ylphenyl)-3-(2-phenylphenyl)aniline?
The InChIKey is BSHZERMXIPYDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NO2/c1-2-11-38(12-3-1)45-15-4-5-16-46(45)41-13-10-14-44(33-41)55(42-27-21-36(22-28-42)39-25-31-49-47-17-6-8-19-51(47)56-53(49)34-39)43-29-23-37(24-30-43)40-26-32-50-48-18-7-9-20-52(48)57-54(50)35-40/h1-35H.
What are the key properties of N,N-bis(4-dibenzofuran-3-ylphenyl)-3-(2-phenylphenyl)aniline?
N,N-bis(4-dibenzofuran-3-ylphenyl)-3-(2-phenylphenyl)aniline has a molecular weight of 729.88 g/mol, XLogP of 15.62, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-dibenzofuran-3-ylphenyl)-3-(2-phenylphenyl)aniline is sourced from PubChem (CID 129130047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).