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

C52H33NO2 — CID 167325582

IUPACN-(2-dibenzofuran-1-ylphenyl)-N-[3-(2-naphthalen-1-ylphenyl)phenyl]dibenzofuran-3-amine
SMILESc1cc(-c2ccccc2-c2cccc3ccccc23)cc(N(c2ccc3c(c2)oc2ccccc23)c2ccccc2-c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C52H33NO2/c1-2-18-38-34(14-1)15-12-24-41(38)40-20-4-3-19-39(40)35-16-11-17-36(32-35)53(37-30-31-44-43-22-6-9-27-48(43)55-51(44)33-37)47-26-8-5-21-42(47)45-25-13-29-50-52(45)46-23-7-10-28-49(46)54-50/h1-33H
InChIKeyHQTYOYRPTCFYSO-UHFFFAOYSA-N
MW703.84 g/mol
LogP15.11
Rot. Bonds6

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

N-(2-dibenzofuran-1-ylphenyl)-N-[3-(2-naphthalen-1-ylphenyl)phenyl]dibenzofuran-3-amine (PubChem CID 167325582) 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-(2-naphthalen-1-ylphenyl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(2-dibenzofuran-1-ylphenyl)-N-[3-(2-naphthalen-1-ylphenyl)phenyl]dibenzofuran-3-amine
PubChem CID167325582
Molecular FormulaC52H33NO2
Molecular Weight703.84 g/mol
Exact Mass703.25
IUPAC NameN-(2-dibenzofuran-1-ylphenyl)-N-[3-(2-naphthalen-1-ylphenyl)phenyl]dibenzofuran-3-amine
SMILESc1cc(-c2ccccc2-c2cccc3ccccc23)cc(N(c2ccc3c(c2)oc2ccccc23)c2ccccc2-c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C52H33NO2/c1-2-18-38-34(14-1)15-12-24-41(38)40-20-4-3-19-39(40)35-16-11-17-36(32-35)53(37-30-31-44-43-22-6-9-27-48(43)55-51(44)33-37)47-26-8-5-21-42(47)45-25-13-29-50-52(45)46-23-7-10-28-49(46)54-50/h1-33H
InChIKeyHQTYOYRPTCFYSO-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-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 168788997
N-(2-dibenzofuran-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167325714
N-(3-dibenzothiophen-1-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 168766712
N-(2-dibenzothiophen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 167325748
N-(3-dibenzofuran-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline
CID 170301232
N-(2-naphthalen-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 170301571
N-[2-[2-[dibenzofuran-3-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
CID 167087101
2-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[3-(2-naphthalen-1-ylphenyl)phenyl]aniline
CID 167325834
2-dibenzofuran-3-yl-N-[4-(2-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167326205
2-dibenzofuran-3-yl-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167324805
2-dibenzofuran-3-yl-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 167324538
N-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine
CID 170535027

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzofuran-1-ylphenyl)-N-[3-(2-naphthalen-1-ylphenyl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N-(2-dibenzofuran-1-ylphenyl)-N-[3-(2-naphthalen-1-ylphenyl)phenyl]dibenzofuran-3-amine (CID 167325582) is N-(2-dibenzofuran-1-ylphenyl)-N-[3-(2-naphthalen-1-ylphenyl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-(2-dibenzofuran-1-ylphenyl)-N-[3-(2-naphthalen-1-ylphenyl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-(2-dibenzofuran-1-ylphenyl)-N-[3-(2-naphthalen-1-ylphenyl)phenyl]dibenzofuran-3-amine is c1cc(-c2ccccc2-c2cccc3ccccc23)cc(N(c2ccc3c(c2)oc2ccccc23)c2ccccc2-c2cccc3oc4ccccc4c23)c1.
What is the InChIKey of N-(2-dibenzofuran-1-ylphenyl)-N-[3-(2-naphthalen-1-ylphenyl)phenyl]dibenzofuran-3-amine?
The InChIKey is HQTYOYRPTCFYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NO2/c1-2-18-38-34(14-1)15-12-24-41(38)40-20-4-3-19-39(40)35-16-11-17-36(32-35)53(37-30-31-44-43-22-6-9-27-48(43)55-51(44)33-37)47-26-8-5-21-42(47)45-25-13-29-50-52(45)46-23-7-10-28-49(46)54-50/h1-33H.
What are the key properties of N-(2-dibenzofuran-1-ylphenyl)-N-[3-(2-naphthalen-1-ylphenyl)phenyl]dibenzofuran-3-amine?
N-(2-dibenzofuran-1-ylphenyl)-N-[3-(2-naphthalen-1-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-(2-naphthalen-1-ylphenyl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 167325582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).