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

C60H39NO2 — CID 121449953

IUPAC3-[4-[2,4-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4ccc(-c5ccc(-c6ccc7oc8ccccc8c7c6)cc5-c5ccc6oc7ccccc7c6c5)cc4)c3)cc2)cc1
InChIInChI=1S/C60H39NO2/c1-3-12-40(13-4-1)41-26-31-49(32-27-41)61(48-15-5-2-6-16-48)50-17-11-14-44(36-50)42-22-24-43(25-23-42)51-33-28-45(46-29-34-59-55(38-46)52-18-7-9-20-57(52)62-59)37-54(51)47-30-35-60-56(39-47)53-19-8-10-21-58(53)63-60/h1-39H
InChIKeyQOBMHBLVLZPTRU-UHFFFAOYSA-N
MW805.98 g/mol
LogP17.29
Rot. Bonds8

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

3-[4-[2,4-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 121449953) has the molecular formula C60H39NO2 and a molecular weight of 805.98 g/mol. Its IUPAC name is 3-[4-[2,4-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name3-[4-[2,4-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
PubChem CID121449953
Molecular FormulaC60H39NO2
Molecular Weight805.98 g/mol
Exact Mass805.30
IUPAC Name3-[4-[2,4-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4ccc(-c5ccc(-c6ccc7oc8ccccc8c7c6)cc5-c5ccc6oc7ccccc7c6c5)cc4)c3)cc2)cc1
InChIInChI=1S/C60H39NO2/c1-3-12-40(13-4-1)41-26-31-49(32-27-41)61(48-15-5-2-6-16-48)50-17-11-14-44(36-50)42-22-24-43(25-23-42)51-33-28-45(46-29-34-59-55(38-46)52-18-7-9-20-57(52)62-59)37-54(51)47-30-35-60-56(39-47)53-19-8-10-21-58(53)63-60/h1-39H
InChIKeyQOBMHBLVLZPTRU-UHFFFAOYSA-N
XLogP17.29
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.98
LogP ≤ 517.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2,4-di(dibenzofuran-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 121449954
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,N-bis(4-phenylphenyl)aniline
CID 121327922
3-dibenzofuran-2-yl-N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)aniline
CID 118428337
N-(4-phenylphenyl)-N-[3-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 168789012
N-[4-(4-phenylphenyl)phenyl]-N-[3-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 168788653
N,N-bis(4-dibenzofuran-3-ylphenyl)-3-(2-phenylphenyl)aniline
CID 129130047
N-(4-dibenzofuran-1-ylphenyl)-4-(3,4-diphenylphenyl)-N-phenylaniline
CID 164831550
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-(3-dibenzofuran-2-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170294640
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

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2,4-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of 3-[4-[2,4-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline (CID 121449953) is 3-[4-[2,4-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 3-[4-[2,4-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for 3-[4-[2,4-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4ccc(-c5ccc(-c6ccc7oc8ccccc8c7c6)cc5-c5ccc6oc7ccccc7c6c5)cc4)c3)cc2)cc1.
What is the InChIKey of 3-[4-[2,4-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is QOBMHBLVLZPTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39NO2/c1-3-12-40(13-4-1)41-26-31-49(32-27-41)61(48-15-5-2-6-16-48)50-17-11-14-44(36-50)42-22-24-43(25-23-42)51-33-28-45(46-29-34-59-55(38-46)52-18-7-9-20-57(52)62-59)37-54(51)47-30-35-60-56(39-47)53-19-8-10-21-58(53)63-60/h1-39H.
What are the key properties of 3-[4-[2,4-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline?
3-[4-[2,4-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 805.98 g/mol, XLogP of 17.29, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2,4-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 121449953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).