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

C46H29NO2 — CID 167324686

IUPACN-(2-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)naphthalen-1-amine
SMILESc1ccc(N(c2ccc(-c3cccc4oc5ccccc5c34)cc2)c2cccc3ccccc23)c(-c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C46H29NO2/c1-2-14-33-30(12-1)13-9-21-39(33)47(32-28-26-31(27-29-32)34-18-10-24-43-45(34)37-16-4-7-22-41(37)48-43)40-20-6-3-15-35(40)36-19-11-25-44-46(36)38-17-5-8-23-42(38)49-44/h1-29H
InChIKeyPFUMFGLUVUFVHV-UHFFFAOYSA-N
MW627.74 g/mol
LogP13.44
Rot. Bonds5

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

N-(2-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)naphthalen-1-amine (PubChem CID 167324686) has the molecular formula C46H29NO2 and a molecular weight of 627.74 g/mol. Its IUPAC name is N-(2-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-(2-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)naphthalen-1-amine
PubChem CID167324686
Molecular FormulaC46H29NO2
Molecular Weight627.74 g/mol
Exact Mass627.22
IUPAC NameN-(2-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)naphthalen-1-amine
SMILESc1ccc(N(c2ccc(-c3cccc4oc5ccccc5c34)cc2)c2cccc3ccccc23)c(-c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C46H29NO2/c1-2-14-33-30(12-1)13-9-21-39(33)47(32-28-26-31(27-29-32)34-18-10-24-43-45(34)37-16-4-7-22-41(37)48-43)40-20-6-3-15-35(40)36-19-11-25-44-46(36)38-17-5-8-23-42(38)49-44/h1-29H
InChIKeyPFUMFGLUVUFVHV-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-1-ylphenyl)-2-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 170541911
N-(2-dibenzofuran-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 167325177
N-(4-dibenzofuran-1-ylphenyl)-N-(2-phenanthren-1-ylphenyl)-2-(4-phenanthren-1-ylphenyl)aniline
CID 176810406
N-(4-dibenzofuran-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]naphthalen-1-amine
CID 170301767
N-(4-dibenzofuran-1-ylphenyl)-2,4-diphenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170294710
N-(2-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 155186765
N-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine
CID 170535027
N-(4-dibenzofuran-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenylaniline
CID 166938688
N-naphthalen-1-yl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 167397130
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenanthren-1-ylaniline
CID 176810443
N-(4-dibenzofuran-1-ylphenyl)-N,2-bis(4-phenanthren-3-ylphenyl)aniline
CID 176810395
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186868

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)naphthalen-1-amine?
The IUPAC name of N-(2-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)naphthalen-1-amine (CID 167324686) is N-(2-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)naphthalen-1-amine.
What is the SMILES notation for N-(2-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)naphthalen-1-amine?
The canonical SMILES for N-(2-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)naphthalen-1-amine is c1ccc(N(c2ccc(-c3cccc4oc5ccccc5c34)cc2)c2cccc3ccccc23)c(-c2cccc3oc4ccccc4c23)c1.
What is the InChIKey of N-(2-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)naphthalen-1-amine?
The InChIKey is PFUMFGLUVUFVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NO2/c1-2-14-33-30(12-1)13-9-21-39(33)47(32-28-26-31(27-29-32)34-18-10-24-43-45(34)37-16-4-7-22-41(37)48-43)40-20-6-3-15-35(40)36-19-11-25-44-46(36)38-17-5-8-23-42(38)49-44/h1-29H.
What are the key properties of N-(2-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)naphthalen-1-amine?
N-(2-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)naphthalen-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-(2-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)naphthalen-1-amine is sourced from PubChem (CID 167324686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).