N-(2-dibenzofuran-2-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzofuran-3-amine

C46H29NO2 — CID 167325549

IUPACN-(2-dibenzofuran-2-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzofuran-3-amine
SMILESc1ccc(N(c2ccc3c(c2)oc2ccccc23)c2ccccc2-c2ccc3oc4ccccc4c3c2)c(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C46H29NO2/c1-2-12-31-27-32(22-21-30(31)11-1)35-13-3-7-17-41(35)47(34-24-25-39-37-15-5-9-19-43(37)49-46(39)29-34)42-18-8-4-14-36(42)33-23-26-45-40(28-33)38-16-6-10-20-44(38)48-45/h1-29H
InChIKeyMKPUCVDFZZVRDX-UHFFFAOYSA-N
MW627.74 g/mol
LogP13.44
Rot. Bonds5

About N-(2-dibenzofuran-2-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzofuran-3-amine

N-(2-dibenzofuran-2-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzofuran-3-amine (PubChem CID 167325549) has the molecular formula C46H29NO2 and a molecular weight of 627.74 g/mol. Its IUPAC name is N-(2-dibenzofuran-2-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(2-dibenzofuran-2-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzofuran-3-amine
PubChem CID167325549
Molecular FormulaC46H29NO2
Molecular Weight627.74 g/mol
Exact Mass627.22
IUPAC NameN-(2-dibenzofuran-2-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzofuran-3-amine
SMILESc1ccc(N(c2ccc3c(c2)oc2ccccc23)c2ccccc2-c2ccc3oc4ccccc4c3c2)c(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C46H29NO2/c1-2-12-31-27-32(22-21-30(31)11-1)35-13-3-7-17-41(35)47(34-24-25-39-37-15-5-9-19-43(37)49-46(39)29-34)42-18-8-4-14-36(42)33-23-26-45-40(28-33)38-16-6-10-20-44(38)48-45/h1-29H
InChIKeyMKPUCVDFZZVRDX-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

2-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 167324670
N-(2-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 167326443
N-(2-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 167326199
N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 174256560
N-[2-[2-[dibenzofuran-3-yl(naphthalen-2-yl)amino]phenyl]phenyl]-N-naphthalen-2-yldibenzofuran-3-amine
CID 167087100
N-(2-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738787
N-(2-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167325355
2-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170030274
N-(3-dibenzofuran-4-yl-2-naphthalen-2-ylphenyl)-N-(2-phenanthren-2-ylphenyl)dibenzofuran-3-amine
CID 170666032
N-(2-dibenzofuran-2-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-2-ylaniline
CID 168767128
2-dibenzofuran-2-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167325244
N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-2-yldibenzofuran-3-amine
CID 163485828

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzofuran-2-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-(2-dibenzofuran-2-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzofuran-3-amine (CID 167325549) is N-(2-dibenzofuran-2-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-(2-dibenzofuran-2-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-(2-dibenzofuran-2-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzofuran-3-amine is c1ccc(N(c2ccc3c(c2)oc2ccccc23)c2ccccc2-c2ccc3oc4ccccc4c3c2)c(-c2ccc3ccccc3c2)c1.
What is the InChIKey of N-(2-dibenzofuran-2-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzofuran-3-amine?
The InChIKey is MKPUCVDFZZVRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NO2/c1-2-12-31-27-32(22-21-30(31)11-1)35-13-3-7-17-41(35)47(34-24-25-39-37-15-5-9-19-43(37)49-46(39)29-34)42-18-8-4-14-36(42)33-23-26-45-40(28-33)38-16-6-10-20-44(38)48-45/h1-29H.
What are the key properties of N-(2-dibenzofuran-2-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzofuran-3-amine?
N-(2-dibenzofuran-2-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzofuran-3-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-(2-dibenzofuran-2-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 167325549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).