N-[4-[3-(azetidin-3-yl)naphthalen-2-yl]phenyl]dibenzofuran-4-amine

C31H24N2O — CID 166675601

IUPACN-[4-[3-(azetidin-3-yl)naphthalen-2-yl]phenyl]dibenzofuran-4-amine
SMILESc1ccc2cc(C3CNC3)c(-c3ccc(Nc4cccc5c4oc4ccccc45)cc3)cc2c1
InChIInChI=1S/C31H24N2O/c1-2-7-22-17-28(23-18-32-19-23)27(16-21(22)6-1)20-12-14-24(15-13-20)33-29-10-5-9-26-25-8-3-4-11-30(25)34-31(26)29/h1-17,23,32-33H,18-19H2
InChIKeyNMJJZERRILQNRG-UHFFFAOYSA-N
MW440.55 g/mol
LogP7.84
Rot. Bonds4

About N-[4-[3-(azetidin-3-yl)naphthalen-2-yl]phenyl]dibenzofuran-4-amine

N-[4-[3-(azetidin-3-yl)naphthalen-2-yl]phenyl]dibenzofuran-4-amine (PubChem CID 166675601) has the molecular formula C31H24N2O and a molecular weight of 440.55 g/mol. Its IUPAC name is N-[4-[3-(azetidin-3-yl)naphthalen-2-yl]phenyl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN-[4-[3-(azetidin-3-yl)naphthalen-2-yl]phenyl]dibenzofuran-4-amine
PubChem CID166675601
Molecular FormulaC31H24N2O
Molecular Weight440.55 g/mol
Exact Mass440.19
IUPAC NameN-[4-[3-(azetidin-3-yl)naphthalen-2-yl]phenyl]dibenzofuran-4-amine
SMILESc1ccc2cc(C3CNC3)c(-c3ccc(Nc4cccc5c4oc4ccccc45)cc3)cc2c1
InChIInChI=1S/C31H24N2O/c1-2-7-22-17-28(23-18-32-19-23)27(16-21(22)6-1)20-12-14-24(15-13-20)33-29-10-5-9-26-25-8-3-4-11-30(25)34-31(26)29/h1-17,23,32-33H,18-19H2
InChIKeyNMJJZERRILQNRG-UHFFFAOYSA-N
XLogP7.84
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.55
LogP ≤ 57.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine
CID 177114269
N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-4-amine
CID 172544746
N-[4-[4-(dibenzofuran-4-ylamino)phenyl]phenyl]dibenzofuran-4-amine
CID 172539034
N-(4-naphthalen-2-ylnaphthalen-1-yl)dibenzofuran-4-amine
CID 167038244
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-2-ylaniline
CID 155374295
N-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran-10-amine
CID 168804074
N-(4-dibenzofuran-4-ylphenyl)-4-phenanthren-2-ylaniline
CID 139544912
N-(4-methylphenyl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine
CID 126561028
N-dibenzofuran-1-yldibenzofuran-4-amine
CID 138484831
N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 159380478
N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-1-amine
CID 165071492
N-(3-dibenzofuran-4-ylphenyl)-9-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 166775445

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(azetidin-3-yl)naphthalen-2-yl]phenyl]dibenzofuran-4-amine?
The IUPAC name of N-[4-[3-(azetidin-3-yl)naphthalen-2-yl]phenyl]dibenzofuran-4-amine (CID 166675601) is N-[4-[3-(azetidin-3-yl)naphthalen-2-yl]phenyl]dibenzofuran-4-amine.
What is the SMILES notation for N-[4-[3-(azetidin-3-yl)naphthalen-2-yl]phenyl]dibenzofuran-4-amine?
The canonical SMILES for N-[4-[3-(azetidin-3-yl)naphthalen-2-yl]phenyl]dibenzofuran-4-amine is c1ccc2cc(C3CNC3)c(-c3ccc(Nc4cccc5c4oc4ccccc45)cc3)cc2c1.
What is the InChIKey of N-[4-[3-(azetidin-3-yl)naphthalen-2-yl]phenyl]dibenzofuran-4-amine?
The InChIKey is NMJJZERRILQNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24N2O/c1-2-7-22-17-28(23-18-32-19-23)27(16-21(22)6-1)20-12-14-24(15-13-20)33-29-10-5-9-26-25-8-3-4-11-30(25)34-31(26)29/h1-17,23,32-33H,18-19H2.
What are the key properties of N-[4-[3-(azetidin-3-yl)naphthalen-2-yl]phenyl]dibenzofuran-4-amine?
N-[4-[3-(azetidin-3-yl)naphthalen-2-yl]phenyl]dibenzofuran-4-amine has a molecular weight of 440.55 g/mol, XLogP of 7.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(azetidin-3-yl)naphthalen-2-yl]phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 166675601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).