N-(2-dibenzofuran-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine

C52H33NO2 — CID 167325714

IUPACN-(2-dibenzofuran-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
SMILESc1cc(-c2ccc(-c3ccc4ccccc4c3)cc2)cc(N(c2ccc3c(c2)oc2ccccc23)c2ccccc2-c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C52H33NO2/c1-2-12-37-31-39(28-27-34(37)11-1)36-25-23-35(24-26-36)38-13-9-14-40(32-38)53(41-29-30-44-43-16-4-7-20-48(43)55-51(44)33-41)47-19-6-3-15-42(47)45-18-10-22-50-52(45)46-17-5-8-21-49(46)54-50/h1-33H
InChIKeyJRBPVMYRZPLNGH-UHFFFAOYSA-N
MW703.84 g/mol
LogP15.11
Rot. Bonds6

About N-(2-dibenzofuran-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine

N-(2-dibenzofuran-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine (PubChem CID 167325714) has the molecular formula C52H33NO2 and a molecular weight of 703.84 g/mol. Its IUPAC name is N-(2-dibenzofuran-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(2-dibenzofuran-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
PubChem CID167325714
Molecular FormulaC52H33NO2
Molecular Weight703.84 g/mol
Exact Mass703.25
IUPAC NameN-(2-dibenzofuran-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
SMILESc1cc(-c2ccc(-c3ccc4ccccc4c3)cc2)cc(N(c2ccc3c(c2)oc2ccccc23)c2ccccc2-c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C52H33NO2/c1-2-12-37-31-39(28-27-34(37)11-1)36-25-23-35(24-26-36)38-13-9-14-40(32-38)53(41-29-30-44-43-16-4-7-20-48(43)55-51(44)33-41)47-19-6-3-15-42(47)45-18-10-22-50-52(45)46-17-5-8-21-49(46)54-50/h1-33H
InChIKeyJRBPVMYRZPLNGH-UHFFFAOYSA-N
XLogP15.11
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.84
LogP ≤ 515.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167325355
2-dibenzofuran-1-yl-N-(3-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167324594
N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167325717
N-(4-naphthalen-2-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-3-amine
CID 166939347
N-(2-dibenzofuran-4-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167324872
N-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-phenylaniline
CID 170535022
N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 174256560
N-(3-dibenzofuran-1-ylphenyl)-N-(3-naphthalen-2-ylphenyl)naphthalen-1-amine
CID 167324150
2-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 167324734
N-(4-dibenzofuran-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]-2-phenanthren-2-ylaniline
CID 176810690
N-(2-dibenzofuran-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 167324675
N-(4-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline
CID 170301545

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzofuran-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N-(2-dibenzofuran-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine (CID 167325714) is N-(2-dibenzofuran-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-(2-dibenzofuran-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-(2-dibenzofuran-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine is c1cc(-c2ccc(-c3ccc4ccccc4c3)cc2)cc(N(c2ccc3c(c2)oc2ccccc23)c2ccccc2-c2cccc3oc4ccccc4c23)c1.
What is the InChIKey of N-(2-dibenzofuran-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine?
The InChIKey is JRBPVMYRZPLNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NO2/c1-2-12-37-31-39(28-27-34(37)11-1)36-25-23-35(24-26-36)38-13-9-14-40(32-38)53(41-29-30-44-43-16-4-7-20-48(43)55-51(44)33-41)47-19-6-3-15-42(47)45-18-10-22-50-52(45)46-17-5-8-21-49(46)54-50/h1-33H.
What are the key properties of N-(2-dibenzofuran-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine?
N-(2-dibenzofuran-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine has a molecular weight of 703.84 g/mol, XLogP of 15.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzofuran-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 167325714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).