3-dibenzofuran-2-yl-N-(2-dibenzofuran-3-ylphenyl)-N-(2-phenylphenyl)-2-(4-phenylphenyl)aniline

C60H39NO2 — CID 170665611

IUPAC3-dibenzofuran-2-yl-N-(2-dibenzofuran-3-ylphenyl)-N-(2-phenylphenyl)-2-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3c(-c4ccc5oc6ccccc6c5c4)cccc3N(c3ccccc3-c3ccccc3)c3ccccc3-c3ccc4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C60H39NO2/c1-3-16-40(17-4-1)41-30-32-43(33-31-41)60-48(44-35-37-58-52(38-44)50-23-10-14-29-57(50)62-58)24-15-27-55(60)61(53-25-11-7-20-46(53)42-18-5-2-6-19-42)54-26-12-8-21-47(54)45-34-36-51-49-22-9-13-28-56(49)63-59(51)39-45/h1-39H
InChIKeyJVDMQHVEJORKFT-UHFFFAOYSA-N
MW805.98 g/mol
LogP17.29
Rot. Bonds8

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

3-dibenzofuran-2-yl-N-(2-dibenzofuran-3-ylphenyl)-N-(2-phenylphenyl)-2-(4-phenylphenyl)aniline (PubChem CID 170665611) has the molecular formula C60H39NO2 and a molecular weight of 805.98 g/mol. Its IUPAC name is 3-dibenzofuran-2-yl-N-(2-dibenzofuran-3-ylphenyl)-N-(2-phenylphenyl)-2-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name3-dibenzofuran-2-yl-N-(2-dibenzofuran-3-ylphenyl)-N-(2-phenylphenyl)-2-(4-phenylphenyl)aniline
PubChem CID170665611
Molecular FormulaC60H39NO2
Molecular Weight805.98 g/mol
Exact Mass805.30
IUPAC Name3-dibenzofuran-2-yl-N-(2-dibenzofuran-3-ylphenyl)-N-(2-phenylphenyl)-2-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3c(-c4ccc5oc6ccccc6c5c4)cccc3N(c3ccccc3-c3ccccc3)c3ccccc3-c3ccc4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C60H39NO2/c1-3-16-40(17-4-1)41-30-32-43(33-31-41)60-48(44-35-37-58-52(38-44)50-23-10-14-29-57(50)62-58)24-15-27-55(60)61(53-25-11-7-20-46(53)42-18-5-2-6-19-42)54-26-12-8-21-47(54)45-34-36-51-49-22-9-13-28-56(49)63-59(51)39-45/h1-39H
InChIKeyJVDMQHVEJORKFT-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

N-(4-dibenzofuran-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline
CID 168789235
N-(2-dibenzofuran-2-ylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine
CID 167325268
N-(2,3-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 174254313
2-dibenzofuran-3-yl-3-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 170665632
N-(3-dibenzothiophen-3-yl-2-phenylphenyl)-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 170665574
2-[10-(2-dibenzofuran-3-yl-6-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 171447273
N-(2-dibenzofuran-3-ylphenyl)-1-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177280900
N-[2-(4-phenylphenyl)phenyl]-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 168789729
N-(2-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 155186723
N,N-bis[2-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 121311269
N-[2-dibenzofuran-3-yl-3-(4-phenylphenyl)phenyl]-N-(3,5-diphenylphenyl)-4-phenylnaphthalen-1-amine
CID 170665817
3-dibenzofuran-3-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline
CID 170666001

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-2-yl-N-(2-dibenzofuran-3-ylphenyl)-N-(2-phenylphenyl)-2-(4-phenylphenyl)aniline?
The IUPAC name of 3-dibenzofuran-2-yl-N-(2-dibenzofuran-3-ylphenyl)-N-(2-phenylphenyl)-2-(4-phenylphenyl)aniline (CID 170665611) is 3-dibenzofuran-2-yl-N-(2-dibenzofuran-3-ylphenyl)-N-(2-phenylphenyl)-2-(4-phenylphenyl)aniline.
What is the SMILES notation for 3-dibenzofuran-2-yl-N-(2-dibenzofuran-3-ylphenyl)-N-(2-phenylphenyl)-2-(4-phenylphenyl)aniline?
The canonical SMILES for 3-dibenzofuran-2-yl-N-(2-dibenzofuran-3-ylphenyl)-N-(2-phenylphenyl)-2-(4-phenylphenyl)aniline is c1ccc(-c2ccc(-c3c(-c4ccc5oc6ccccc6c5c4)cccc3N(c3ccccc3-c3ccccc3)c3ccccc3-c3ccc4c(c3)oc3ccccc34)cc2)cc1.
What is the InChIKey of 3-dibenzofuran-2-yl-N-(2-dibenzofuran-3-ylphenyl)-N-(2-phenylphenyl)-2-(4-phenylphenyl)aniline?
The InChIKey is JVDMQHVEJORKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39NO2/c1-3-16-40(17-4-1)41-30-32-43(33-31-41)60-48(44-35-37-58-52(38-44)50-23-10-14-29-57(50)62-58)24-15-27-55(60)61(53-25-11-7-20-46(53)42-18-5-2-6-19-42)54-26-12-8-21-47(54)45-34-36-51-49-22-9-13-28-56(49)63-59(51)39-45/h1-39H.
What are the key properties of 3-dibenzofuran-2-yl-N-(2-dibenzofuran-3-ylphenyl)-N-(2-phenylphenyl)-2-(4-phenylphenyl)aniline?
3-dibenzofuran-2-yl-N-(2-dibenzofuran-3-ylphenyl)-N-(2-phenylphenyl)-2-(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-dibenzofuran-2-yl-N-(2-dibenzofuran-3-ylphenyl)-N-(2-phenylphenyl)-2-(4-phenylphenyl)aniline is sourced from PubChem (CID 170665611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).