3-[2,4-di(dibenzofuran-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline

C54H35NO2 — CID 121449954

IUPAC3-[2,4-di(dibenzofuran-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4-c4ccc5oc6ccccc6c5c4)c3)cc2)cc1
InChIInChI=1S/C54H35NO2/c1-3-12-36(13-4-1)37-22-27-43(28-23-37)55(42-15-5-2-6-16-42)44-17-11-14-40(32-44)45-29-24-38(39-25-30-53-49(34-39)46-18-7-9-20-51(46)56-53)33-48(45)41-26-31-54-50(35-41)47-19-8-10-21-52(47)57-54/h1-35H
InChIKeyXORHQJLKLJDCIN-UHFFFAOYSA-N
MW729.88 g/mol
LogP15.62
Rot. Bonds7

About 3-[2,4-di(dibenzofuran-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline

3-[2,4-di(dibenzofuran-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 121449954) has the molecular formula C54H35NO2 and a molecular weight of 729.88 g/mol. Its IUPAC name is 3-[2,4-di(dibenzofuran-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name3-[2,4-di(dibenzofuran-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
PubChem CID121449954
Molecular FormulaC54H35NO2
Molecular Weight729.88 g/mol
Exact Mass729.27
IUPAC Name3-[2,4-di(dibenzofuran-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4-c4ccc5oc6ccccc6c5c4)c3)cc2)cc1
InChIInChI=1S/C54H35NO2/c1-3-12-36(13-4-1)37-22-27-43(28-23-37)55(42-15-5-2-6-16-42)44-17-11-14-40(32-44)45-29-24-38(39-25-30-53-49(34-39)46-18-7-9-20-51(46)56-53)33-48(45)41-26-31-54-50(35-41)47-19-8-10-21-52(47)57-54/h1-35H
InChIKeyXORHQJLKLJDCIN-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

3-[4-[2,4-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 121449953
3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 121327922
3-dibenzofuran-2-yl-N-[4-(2,5-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 170535101
3-dibenzofuran-2-yl-N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)aniline
CID 118428337
N,N-bis(4-dibenzofuran-2-ylphenyl)-3-triphenylen-2-ylaniline
CID 118214693
N-(4-dibenzofuran-2-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 90350985
N-[4-(4-phenylphenyl)phenyl]-N-[3-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 168788653
N-(4-phenylphenyl)-N-[3-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 168789012
N,N-bis(4-dibenzofuran-3-ylphenyl)-3-(2-phenylphenyl)aniline
CID 129130047
N-dibenzofuran-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 121325419
3-N,3-N-bis(4-dibenzofuran-2-ylphenyl)-1-N,5-N-diphenyl-1-N,5-N-bis(4-phenylphenyl)benzene-1,3,5-triamine
CID 118605075
3-dibenzofuran-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 170535051

Frequently Asked Questions

What is the IUPAC name of 3-[2,4-di(dibenzofuran-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of 3-[2,4-di(dibenzofuran-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline (CID 121449954) is 3-[2,4-di(dibenzofuran-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 3-[2,4-di(dibenzofuran-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for 3-[2,4-di(dibenzofuran-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4-c4ccc5oc6ccccc6c5c4)c3)cc2)cc1.
What is the InChIKey of 3-[2,4-di(dibenzofuran-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is XORHQJLKLJDCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NO2/c1-3-12-36(13-4-1)37-22-27-43(28-23-37)55(42-15-5-2-6-16-42)44-17-11-14-40(32-44)45-29-24-38(39-25-30-53-49(34-39)46-18-7-9-20-51(46)56-53)33-48(45)41-26-31-54-50(35-41)47-19-8-10-21-52(47)57-54/h1-35H.
What are the key properties of 3-[2,4-di(dibenzofuran-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline?
3-[2,4-di(dibenzofuran-2-yl)phenyl]-N-phenyl-N-(4-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 3-[2,4-di(dibenzofuran-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 121449954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).