N-(4-naphthalen-1-ylphenyl)-2-naphtho[2,3-b][1]benzofuran-4-yl-N-[4-(3-phenylphenyl)phenyl]aniline

C56H37NO — CID 174275617

IUPACN-(4-naphthalen-1-ylphenyl)-2-naphtho[2,3-b][1]benzofuran-4-yl-N-[4-(3-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccccc4-c4cccc5c4oc4cc6ccccc6cc45)cc3)c2)cc1
InChIInChI=1S/C56H37NO/c1-2-13-38(14-3-1)42-19-10-20-43(35-42)39-27-31-46(32-28-39)57(47-33-29-41(30-34-47)49-23-11-18-40-15-6-7-21-48(40)49)54-26-9-8-22-50(54)51-24-12-25-52-53-36-44-16-4-5-17-45(44)37-55(53)58-56(51)52/h1-37H
InChIKeyHDZVYWLTPALDMB-UHFFFAOYSA-N
MW739.92 g/mol
LogP16.03
Rot. Bonds7

About N-(4-naphthalen-1-ylphenyl)-2-naphtho[2,3-b][1]benzofuran-4-yl-N-[4-(3-phenylphenyl)phenyl]aniline

N-(4-naphthalen-1-ylphenyl)-2-naphtho[2,3-b][1]benzofuran-4-yl-N-[4-(3-phenylphenyl)phenyl]aniline (PubChem CID 174275617) has the molecular formula C56H37NO and a molecular weight of 739.92 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-2-naphtho[2,3-b][1]benzofuran-4-yl-N-[4-(3-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-2-naphtho[2,3-b][1]benzofuran-4-yl-N-[4-(3-phenylphenyl)phenyl]aniline
PubChem CID174275617
Molecular FormulaC56H37NO
Molecular Weight739.92 g/mol
Exact Mass739.29
IUPAC NameN-(4-naphthalen-1-ylphenyl)-2-naphtho[2,3-b][1]benzofuran-4-yl-N-[4-(3-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccccc4-c4cccc5c4oc4cc6ccccc6cc45)cc3)c2)cc1
InChIInChI=1S/C56H37NO/c1-2-13-38(14-3-1)42-19-10-20-43(35-42)39-27-31-46(32-28-39)57(47-33-29-41(30-34-47)49-23-11-18-40-15-6-7-21-48(40)49)54-26-9-8-22-50(54)51-24-12-25-52-53-36-44-16-4-5-17-45(44)37-55(53)58-56(51)52/h1-37H
InChIKeyHDZVYWLTPALDMB-UHFFFAOYSA-N
XLogP16.03
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.92
LogP ≤ 516.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 174275436
N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-3,4-diphenylaniline
CID 174275343
N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 174285036
N-(4-naphthalen-2-ylphenyl)-2-[7-[6-[4-(N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-3-phenylanilino)phenyl]naphthalen-1-yl]naphtho[2,3-b][1]benzofuran-4-yl]-N-(4-phenylphenyl)aniline
CID 174275030
N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 174275519
2-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
CID 126709649
N-(2-dibenzofuran-4-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 172502136
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-2-phenylaniline
CID 174274045
N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine
CID 172503187
N-(4-dibenzofuran-4-ylphenyl)-2-[2-(2,4-diphenylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline
CID 172503073
2-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline
CID 176763153
N-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2-naphtho[2,3-b][1]benzofuran-2-ylaniline
CID 174277323

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-2-naphtho[2,3-b][1]benzofuran-4-yl-N-[4-(3-phenylphenyl)phenyl]aniline?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-2-naphtho[2,3-b][1]benzofuran-4-yl-N-[4-(3-phenylphenyl)phenyl]aniline (CID 174275617) is N-(4-naphthalen-1-ylphenyl)-2-naphtho[2,3-b][1]benzofuran-4-yl-N-[4-(3-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-2-naphtho[2,3-b][1]benzofuran-4-yl-N-[4-(3-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-2-naphtho[2,3-b][1]benzofuran-4-yl-N-[4-(3-phenylphenyl)phenyl]aniline is c1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccccc4-c4cccc5c4oc4cc6ccccc6cc45)cc3)c2)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-2-naphtho[2,3-b][1]benzofuran-4-yl-N-[4-(3-phenylphenyl)phenyl]aniline?
The InChIKey is HDZVYWLTPALDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37NO/c1-2-13-38(14-3-1)42-19-10-20-43(35-42)39-27-31-46(32-28-39)57(47-33-29-41(30-34-47)49-23-11-18-40-15-6-7-21-48(40)49)54-26-9-8-22-50(54)51-24-12-25-52-53-36-44-16-4-5-17-45(44)37-55(53)58-56(51)52/h1-37H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-2-naphtho[2,3-b][1]benzofuran-4-yl-N-[4-(3-phenylphenyl)phenyl]aniline?
N-(4-naphthalen-1-ylphenyl)-2-naphtho[2,3-b][1]benzofuran-4-yl-N-[4-(3-phenylphenyl)phenyl]aniline has a molecular weight of 739.92 g/mol, XLogP of 16.03, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylphenyl)-2-naphtho[2,3-b][1]benzofuran-4-yl-N-[4-(3-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 174275617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).