N-(3-naphthalen-1-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine

C50H31NO2 — CID 167329983

IUPACN-(3-naphthalen-1-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine
SMILESc1cc(-c2cccc3ccccc23)cc(N(c2cccc(-c3cccc4oc5c6ccccc6ccc5c34)c2)c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C50H31NO2/c1-3-19-38-32(12-1)14-9-22-39(38)34-15-7-17-36(30-34)51(44-24-11-27-47-49(44)42-21-5-6-25-45(42)52-47)37-18-8-16-35(31-37)40-23-10-26-46-48(40)43-29-28-33-13-2-4-20-41(33)50(43)53-46/h1-31H
InChIKeyYOLNGEOREUJERK-UHFFFAOYSA-N
MW677.80 g/mol
LogP14.60
Rot. Bonds5

About N-(3-naphthalen-1-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine

N-(3-naphthalen-1-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine (PubChem CID 167329983) has the molecular formula C50H31NO2 and a molecular weight of 677.80 g/mol. Its IUPAC name is N-(3-naphthalen-1-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(3-naphthalen-1-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine
PubChem CID167329983
Molecular FormulaC50H31NO2
Molecular Weight677.80 g/mol
Exact Mass677.24
IUPAC NameN-(3-naphthalen-1-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine
SMILESc1cc(-c2cccc3ccccc23)cc(N(c2cccc(-c3cccc4oc5c6ccccc6ccc5c34)c2)c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C50H31NO2/c1-3-19-38-32(12-1)14-9-22-39(38)34-15-7-17-36(30-34)51(44-24-11-27-47-49(44)42-21-5-6-25-45(42)52-47)37-18-8-16-35(31-37)40-23-10-26-46-48(40)43-29-28-33-13-2-4-20-41(33)50(43)53-46/h1-31H
InChIKeyYOLNGEOREUJERK-UHFFFAOYSA-N
XLogP14.60
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.80
LogP ≤ 514.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738835
N-(3-dibenzofuran-1-ylphenyl)-N-(3,5-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739159
N-(3-dibenzofuran-1-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737622
N-(3-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 167277971
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-1-amine
CID 167330620
N-(4-dibenzofuran-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738128
2-naphthalen-1-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-1-ylphenyl)aniline
CID 167330222
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-carbazol-9-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine
CID 169283939
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737637
N-(3-naphthalen-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738046
N-(4-naphthalen-2-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 167330723

Frequently Asked Questions

What is the IUPAC name of N-(3-naphthalen-1-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine?
The IUPAC name of N-(3-naphthalen-1-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine (CID 167329983) is N-(3-naphthalen-1-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for N-(3-naphthalen-1-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine?
The canonical SMILES for N-(3-naphthalen-1-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine is c1cc(-c2cccc3ccccc23)cc(N(c2cccc(-c3cccc4oc5c6ccccc6ccc5c34)c2)c2cccc3oc4ccccc4c23)c1.
What is the InChIKey of N-(3-naphthalen-1-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine?
The InChIKey is YOLNGEOREUJERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31NO2/c1-3-19-38-32(12-1)14-9-22-39(38)34-15-7-17-36(30-34)51(44-24-11-27-47-49(44)42-21-5-6-25-45(42)52-47)37-18-8-16-35(31-37)40-23-10-26-46-48(40)43-29-28-33-13-2-4-20-41(33)50(43)53-46/h1-31H.
What are the key properties of N-(3-naphthalen-1-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine?
N-(3-naphthalen-1-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine has a molecular weight of 677.80 g/mol, XLogP of 14.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-naphthalen-1-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 167329983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).