N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenylaniline

C58H39NO — CID 167330996

IUPACN-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenylaniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6oc7c8ccccc8ccc7c56)cc4)c4ccccc4-c4ccccc4)cc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C58H39NO/c1-4-15-41(16-5-1)49-37-32-46(39-54(49)43-19-8-3-9-20-43)40-27-33-47(34-28-40)59(55-25-13-12-22-50(55)42-17-6-2-7-18-42)48-35-29-45(30-36-48)51-24-14-26-56-57(51)53-38-31-44-21-10-11-23-52(44)58(53)60-56/h1-39H
InChIKeyDGQSPRIFQTXNDI-UHFFFAOYSA-N
MW765.96 g/mol
LogP16.54
Rot. Bonds8

About N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenylaniline

N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenylaniline (PubChem CID 167330996) has the molecular formula C58H39NO and a molecular weight of 765.96 g/mol. Its IUPAC name is N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenylaniline.

Molecular Properties

Compound NameN-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenylaniline
PubChem CID167330996
Molecular FormulaC58H39NO
Molecular Weight765.96 g/mol
Exact Mass765.30
IUPAC NameN-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenylaniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6oc7c8ccccc8ccc7c56)cc4)c4ccccc4-c4ccccc4)cc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C58H39NO/c1-4-15-41(16-5-1)49-37-32-46(39-54(49)43-19-8-3-9-20-43)40-27-33-47(34-28-40)59(55-25-13-12-22-50(55)42-17-6-2-7-18-42)48-35-29-45(30-36-48)51-24-14-26-56-57(51)53-38-31-44-21-10-11-23-52(44)58(53)60-56/h1-39H
InChIKeyDGQSPRIFQTXNDI-UHFFFAOYSA-N
XLogP16.54
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.96
LogP ≤ 516.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-(3,4-diphenylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenanthren-2-ylphenyl)aniline
CID 167331127
N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 166938678
N-[4-(3,4-diphenylphenyl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphthalen-1-amine
CID 167331201
N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenylaniline
CID 167331075
N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737921
N-[4-(2,4-diphenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737688
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738577
N-(3-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-(4-phenylphenyl)aniline
CID 167329791
N-(4-dibenzofuran-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167329508
N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739200

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenylaniline?
The IUPAC name of N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenylaniline (CID 167330996) is N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenylaniline.
What is the SMILES notation for N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenylaniline?
The canonical SMILES for N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenylaniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6oc7c8ccccc8ccc7c56)cc4)c4ccccc4-c4ccccc4)cc3)cc2-c2ccccc2)cc1.
What is the InChIKey of N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenylaniline?
The InChIKey is DGQSPRIFQTXNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39NO/c1-4-15-41(16-5-1)49-37-32-46(39-54(49)43-19-8-3-9-20-43)40-27-33-47(34-28-40)59(55-25-13-12-22-50(55)42-17-6-2-7-18-42)48-35-29-45(30-36-48)51-24-14-26-56-57(51)53-38-31-44-21-10-11-23-52(44)58(53)60-56/h1-39H.
What are the key properties of N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenylaniline?
N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenylaniline has a molecular weight of 765.96 g/mol, XLogP of 16.54, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenylaniline is sourced from PubChem (CID 167330996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).