N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine

C46H29NO2 — CID 174285036

IUPACN-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4oc5ccccc5c4c3)c3ccccc3-c3cccc4c3oc3cc5ccccc5cc34)cc2)cc1
InChIInChI=1S/C46H29NO2/c1-2-11-30(12-3-1)31-21-23-34(24-22-31)47(35-25-26-44-41(29-35)37-16-7-9-20-43(37)48-44)42-19-8-6-15-36(42)38-17-10-18-39-40-27-32-13-4-5-14-33(32)28-45(40)49-46(38)39/h1-29H
InChIKeyNAJJGCUMXIJXLA-UHFFFAOYSA-N
MW627.74 g/mol
LogP13.44
Rot. Bonds5

About N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine

N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine (PubChem CID 174285036) has the molecular formula C46H29NO2 and a molecular weight of 627.74 g/mol. Its IUPAC name is N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
PubChem CID174285036
Molecular FormulaC46H29NO2
Molecular Weight627.74 g/mol
Exact Mass627.22
IUPAC NameN-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4oc5ccccc5c4c3)c3ccccc3-c3cccc4c3oc3cc5ccccc5cc34)cc2)cc1
InChIInChI=1S/C46H29NO2/c1-2-11-30(12-3-1)31-21-23-34(24-22-31)47(35-25-26-44-41(29-35)37-16-7-9-20-43(37)48-44)42-19-8-6-15-36(42)38-17-10-18-39-40-27-32-13-4-5-14-33(32)28-45(40)49-46(38)39/h1-29H
InChIKeyNAJJGCUMXIJXLA-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-dibenzofuran-2-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[2,3-b][1]benzofuran-4-amine
CID 169285185
N-(4-dibenzofuran-4-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 122675345
N-(4-dibenzofuran-4-ylphenyl)-N-[2-[2-(2,5-diphenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 172501827
N-(2-dibenzofuran-4-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167324872
N-(4-naphthalen-1-ylphenyl)-2-naphtho[2,3-b][1]benzofuran-4-yl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 174275617
N-(4-naphthalen-1-ylphenyl)-N-(2-naphtho[2,3-b][1]benzofuran-1-ylphenyl)dibenzofuran-2-amine
CID 174278954
N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 174275519
N-(2-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502629
N-(4-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172502739
N-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397725
N-naphthalen-1-yl-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 172502268
N-(4-dibenzofuran-4-ylphenyl)-N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 172502499

Frequently Asked Questions

What is the IUPAC name of N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine?
The IUPAC name of N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine (CID 174285036) is N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine?
The canonical SMILES for N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine is c1ccc(-c2ccc(N(c3ccc4oc5ccccc5c4c3)c3ccccc3-c3cccc4c3oc3cc5ccccc5cc34)cc2)cc1.
What is the InChIKey of N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine?
The InChIKey is NAJJGCUMXIJXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NO2/c1-2-11-30(12-3-1)31-21-23-34(24-22-31)47(35-25-26-44-41(29-35)37-16-7-9-20-43(37)48-44)42-19-8-6-15-36(42)38-17-10-18-39-40-27-32-13-4-5-14-33(32)28-45(40)49-46(38)39/h1-29H.
What are the key properties of N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine?
N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-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-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 174285036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).