N-(3-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine

C46H29NO2 — CID 170676836

IUPACN-(3-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine
SMILESc1cc(-c2cccc3oc4ccccc4c23)cc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2cccc3ccccc23)c1
InChIInChI=1S/C46H29NO2/c1-2-15-35-30(11-1)12-8-21-41(35)47(33-27-25-31(26-28-33)37-19-9-20-39-38-16-3-5-22-42(38)49-46(37)39)34-14-7-13-32(29-34)36-18-10-24-44-45(36)40-17-4-6-23-43(40)48-44/h1-29H
InChIKeyPAYIDPUCRWVYOF-UHFFFAOYSA-N
MW627.74 g/mol
LogP13.44
Rot. Bonds5

About N-(3-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine

N-(3-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine (PubChem CID 170676836) has the molecular formula C46H29NO2 and a molecular weight of 627.74 g/mol. Its IUPAC name is N-(3-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-(3-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine
PubChem CID170676836
Molecular FormulaC46H29NO2
Molecular Weight627.74 g/mol
Exact Mass627.22
IUPAC NameN-(3-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine
SMILESc1cc(-c2cccc3oc4ccccc4c23)cc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2cccc3ccccc23)c1
InChIInChI=1S/C46H29NO2/c1-2-15-35-30(11-1)12-8-21-41(35)47(33-27-25-31(26-28-33)37-19-9-20-39-38-16-3-5-22-42(38)49-46(37)39)34-14-7-13-32(29-34)36-18-10-24-44-45(36)40-17-4-6-23-43(40)48-44/h1-29H
InChIKeyPAYIDPUCRWVYOF-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-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine
CID 170535027
2-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[3-(2-naphthalen-1-ylphenyl)phenyl]aniline
CID 167325834
N-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)naphthalen-1-amine
CID 170676842
5-N-(4-dibenzofuran-4-ylphenyl)-1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 118604838
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 157079303
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 59136875
N-(4-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 155186610
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphthalen-1-amine
CID 167330924
N-(3-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 155186908
N-(4-dibenzofuran-4-ylphenyl)-2-[2-(2,4-diphenylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline
CID 172503073
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;N,N-bis[4-(4-dibenzofuran-1-ylphenyl)phenyl]-3-(2-phenylphenyl)aniline;N-(4-dibenzofuran-1-ylphenyl)-4-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 161497099
N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738835

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine?
The IUPAC name of N-(3-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine (CID 170676836) is N-(3-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine.
What is the SMILES notation for N-(3-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine?
The canonical SMILES for N-(3-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine is c1cc(-c2cccc3oc4ccccc4c23)cc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2cccc3ccccc23)c1.
What is the InChIKey of N-(3-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine?
The InChIKey is PAYIDPUCRWVYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NO2/c1-2-15-35-30(11-1)12-8-21-41(35)47(33-27-25-31(26-28-33)37-19-9-20-39-38-16-3-5-22-42(38)49-46(37)39)34-14-7-13-32(29-34)36-18-10-24-44-45(36)40-17-4-6-23-43(40)48-44/h1-29H.
What are the key properties of N-(3-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine?
N-(3-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-4-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-(3-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine is sourced from PubChem (CID 170676836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).