N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine

C46H29NO2 — CID 155186611

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
SMILESc1ccc2cc(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4cccc5oc6ccccc6c45)cc3)ccc2c1
InChIInChI=1S/C46H29NO2/c1-2-10-33-29-34(20-19-30(33)9-1)31-21-25-35(26-22-31)47(41-15-8-18-44-45(41)40-12-4-6-17-43(40)48-44)36-27-23-32(24-28-36)37-13-7-14-39-38-11-3-5-16-42(38)49-46(37)39/h1-29H
InChIKeyXXARHTDWTAGDCT-UHFFFAOYSA-N
MW627.74 g/mol
LogP13.44
Rot. Bonds5

About N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine

N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine (PubChem CID 155186611) has the molecular formula C46H29NO2 and a molecular weight of 627.74 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
PubChem CID155186611
Molecular FormulaC46H29NO2
Molecular Weight627.74 g/mol
Exact Mass627.22
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
SMILESc1ccc2cc(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4cccc5oc6ccccc6c45)cc3)ccc2c1
InChIInChI=1S/C46H29NO2/c1-2-10-33-29-34(20-19-30(33)9-1)31-21-25-35(26-22-31)47(41-15-8-18-44-45(41)40-12-4-6-17-43(40)48-44)36-27-23-32(24-28-36)37-13-7-14-39-38-11-3-5-16-42(38)49-46(37)39/h1-29H
InChIKeyXXARHTDWTAGDCT-UHFFFAOYSA-N
XLogP13.44
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.74
LogP ≤ 513.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 155186610
2-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 167325117
N-(4-naphthalen-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-1-amine
CID 168805244
N-(4-dibenzofuran-4-ylphenyl)-2-naphthalen-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 155374329
N-(3-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 155186908
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396923
2-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 167325155
N-(4-dibenzofuran-4-ylphenyl)-N-(2-naphthalen-1-ylphenyl)-2-(4-naphthalen-2-ylphenyl)aniline
CID 155374481
N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline
CID 166566033
4-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 58510830
N-(4-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172502739
N-(4-naphthalen-2-ylphenyl)-N-[2-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810491

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine (CID 155186611) is N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine is c1ccc2cc(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4cccc5oc6ccccc6c45)cc3)ccc2c1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine?
The InChIKey is XXARHTDWTAGDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NO2/c1-2-10-33-29-34(20-19-30(33)9-1)31-21-25-35(26-22-31)47(41-15-8-18-44-45(41)40-12-4-6-17-43(40)48-44)36-27-23-32(24-28-36)37-13-7-14-39-38-11-3-5-16-42(38)49-46(37)39/h1-29H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine?
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine has a molecular weight of 627.74 g/mol, XLogP of 13.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 155186611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).