N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphthalen-1-amine

C54H33NO2 — CID 167330924

IUPACN-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphthalen-1-amine
SMILESc1cc(-c2cccc3oc4c5ccccc5ccc4c23)cc(N(c2ccc(-c3cccc4oc5c6ccccc6ccc5c34)cc2)c2cccc3ccccc23)c1
InChIInChI=1S/C54H33NO2/c1-4-17-41-34(11-1)14-8-22-48(41)55(39-29-25-37(26-30-39)42-20-9-23-49-51(42)46-31-27-35-12-2-5-18-44(35)53(46)56-49)40-16-7-15-38(33-40)43-21-10-24-50-52(43)47-32-28-36-13-3-6-19-45(36)54(47)57-50/h1-33H
InChIKeyOXZBUBCJTRHCMA-UHFFFAOYSA-N
MW727.86 g/mol
LogP15.75
Rot. Bonds5

About N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphthalen-1-amine

N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphthalen-1-amine (PubChem CID 167330924) has the molecular formula C54H33NO2 and a molecular weight of 727.86 g/mol. Its IUPAC name is N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphthalen-1-amine
PubChem CID167330924
Molecular FormulaC54H33NO2
Molecular Weight727.86 g/mol
Exact Mass727.25
IUPAC NameN-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphthalen-1-amine
SMILESc1cc(-c2cccc3oc4c5ccccc5ccc4c23)cc(N(c2ccc(-c3cccc4oc5c6ccccc6ccc5c34)cc2)c2cccc3ccccc23)c1
InChIInChI=1S/C54H33NO2/c1-4-17-41-34(11-1)14-8-22-48(41)55(39-29-25-37(26-30-39)42-20-9-23-49-51(42)46-31-27-35-12-2-5-18-44(35)53(46)56-49)40-16-7-15-38(33-40)43-21-10-24-50-52(43)47-32-28-36-13-3-6-19-45(36)54(47)57-50/h1-33H
InChIKeyOXZBUBCJTRHCMA-UHFFFAOYSA-N
XLogP15.75
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.86
LogP ≤ 515.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 166939006
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)phenanthren-1-amine
CID 166939869
3-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166939687
2-naphthalen-1-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-1-ylphenyl)aniline
CID 167330222
N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738835
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
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)naphthalen-1-amine
CID 167330881
N-[3-(8-phenylnaphthalen-1-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738106
N-(3-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-(4-phenylphenyl)aniline
CID 167329791
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-1-amine
CID 167330620
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine
CID 167330132
N-(3-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 167277971

Frequently Asked Questions

What is the IUPAC name of N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphthalen-1-amine?
The IUPAC name of 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) is N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphthalen-1-amine.
What is the SMILES notation for N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphthalen-1-amine?
The canonical SMILES for N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphthalen-1-amine is c1cc(-c2cccc3oc4c5ccccc5ccc4c23)cc(N(c2ccc(-c3cccc4oc5c6ccccc6ccc5c34)cc2)c2cccc3ccccc23)c1.
What is the InChIKey of N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphthalen-1-amine?
The InChIKey is OXZBUBCJTRHCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33NO2/c1-4-17-41-34(11-1)14-8-22-48(41)55(39-29-25-37(26-30-39)42-20-9-23-49-51(42)46-31-27-35-12-2-5-18-44(35)53(46)56-49)40-16-7-15-38(33-40)43-21-10-24-50-52(43)47-32-28-36-13-3-6-19-45(36)54(47)57-50/h1-33H.
What are the key properties of N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphthalen-1-amine?
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphthalen-1-amine has a molecular weight of 727.86 g/mol, XLogP of 15.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphthalen-1-amine is sourced from PubChem (CID 167330924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).