2-naphthalen-2-yl-4-naphtho[1,2-b][1]benzofuran-7-yl-N,N-bis(4-phenylphenyl)aniline

C56H37NO — CID 166939391

IUPAC2-naphthalen-2-yl-4-naphtho[1,2-b][1]benzofuran-7-yl-N,N-bis(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5oc6c7ccccc7ccc6c45)cc3-c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C56H37NO/c1-3-12-38(13-4-1)41-24-30-47(31-25-41)57(48-32-26-42(27-33-48)39-14-5-2-6-15-39)53-35-29-46(37-52(53)45-23-22-40-16-7-8-18-44(40)36-45)49-20-11-21-54-55(49)51-34-28-43-17-9-10-19-50(43)56(51)58-54/h1-37H
InChIKeyURRJIHUMHUVTAI-UHFFFAOYSA-N
MW739.92 g/mol
LogP16.03
Rot. Bonds7

About 2-naphthalen-2-yl-4-naphtho[1,2-b][1]benzofuran-7-yl-N,N-bis(4-phenylphenyl)aniline

2-naphthalen-2-yl-4-naphtho[1,2-b][1]benzofuran-7-yl-N,N-bis(4-phenylphenyl)aniline (PubChem CID 166939391) has the molecular formula C56H37NO and a molecular weight of 739.92 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-naphtho[1,2-b][1]benzofuran-7-yl-N,N-bis(4-phenylphenyl)aniline.

Molecular Properties

Compound Name2-naphthalen-2-yl-4-naphtho[1,2-b][1]benzofuran-7-yl-N,N-bis(4-phenylphenyl)aniline
PubChem CID166939391
Molecular FormulaC56H37NO
Molecular Weight739.92 g/mol
Exact Mass739.29
IUPAC Name2-naphthalen-2-yl-4-naphtho[1,2-b][1]benzofuran-7-yl-N,N-bis(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5oc6c7ccccc7ccc6c45)cc3-c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C56H37NO/c1-3-12-38(13-4-1)41-24-30-47(31-25-41)57(48-32-26-42(27-33-48)39-14-5-2-6-15-39)53-35-29-46(37-52(53)45-23-22-40-16-7-8-18-44(40)36-45)49-20-11-21-54-55(49)51-34-28-43-17-9-10-19-50(43)56(51)58-54/h1-37H
InChIKeyURRJIHUMHUVTAI-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-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenylaniline
CID 167331075
N-(3-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-(4-phenylphenyl)aniline
CID 167329791
N-(2,4-diphenylphenyl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737725
N-(4-naphthalen-2-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenylaniline
CID 167329404
4-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167331254
N-(4-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 167330356
N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 166938678
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167331276
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline
CID 167330365
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-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)phenanthren-1-amine
CID 170272446
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 170272481

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-naphtho[1,2-b][1]benzofuran-7-yl-N,N-bis(4-phenylphenyl)aniline?
The IUPAC name of 2-naphthalen-2-yl-4-naphtho[1,2-b][1]benzofuran-7-yl-N,N-bis(4-phenylphenyl)aniline (CID 166939391) is 2-naphthalen-2-yl-4-naphtho[1,2-b][1]benzofuran-7-yl-N,N-bis(4-phenylphenyl)aniline.
What is the SMILES notation for 2-naphthalen-2-yl-4-naphtho[1,2-b][1]benzofuran-7-yl-N,N-bis(4-phenylphenyl)aniline?
The canonical SMILES for 2-naphthalen-2-yl-4-naphtho[1,2-b][1]benzofuran-7-yl-N,N-bis(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5oc6c7ccccc7ccc6c45)cc3-c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of 2-naphthalen-2-yl-4-naphtho[1,2-b][1]benzofuran-7-yl-N,N-bis(4-phenylphenyl)aniline?
The InChIKey is URRJIHUMHUVTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37NO/c1-3-12-38(13-4-1)41-24-30-47(31-25-41)57(48-32-26-42(27-33-48)39-14-5-2-6-15-39)53-35-29-46(37-52(53)45-23-22-40-16-7-8-18-44(40)36-45)49-20-11-21-54-55(49)51-34-28-43-17-9-10-19-50(43)56(51)58-54/h1-37H.
What are the key properties of 2-naphthalen-2-yl-4-naphtho[1,2-b][1]benzofuran-7-yl-N,N-bis(4-phenylphenyl)aniline?
2-naphthalen-2-yl-4-naphtho[1,2-b][1]benzofuran-7-yl-N,N-bis(4-phenylphenyl)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 2-naphthalen-2-yl-4-naphtho[1,2-b][1]benzofuran-7-yl-N,N-bis(4-phenylphenyl)aniline is sourced from PubChem (CID 166939391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).