4-phenyl-N-(4-phenylphenyl)-N-[4-[5-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]aniline

C58H39NO — CID 155423361

IUPAC4-phenyl-N-(4-phenylphenyl)-N-[4-[5-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5oc6c7ccccc7c(-c7ccccc7-c7ccccc7)cc6c45)cc3)cc2)cc1
InChIInChI=1S/C58H39NO/c1-4-15-40(16-5-1)42-27-33-46(34-28-42)59(47-35-29-43(30-36-47)41-17-6-2-7-18-41)48-37-31-45(32-38-48)50-25-14-26-56-57(50)55-39-54(52-23-12-13-24-53(52)58(55)60-56)51-22-11-10-21-49(51)44-19-8-3-9-20-44/h1-39H
InChIKeyKODXPOIWFZPBBR-UHFFFAOYSA-N
MW765.96 g/mol
LogP16.54
Rot. Bonds8

About 4-phenyl-N-(4-phenylphenyl)-N-[4-[5-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]aniline

4-phenyl-N-(4-phenylphenyl)-N-[4-[5-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]aniline (PubChem CID 155423361) has the molecular formula C58H39NO and a molecular weight of 765.96 g/mol. Its IUPAC name is 4-phenyl-N-(4-phenylphenyl)-N-[4-[5-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]aniline.

Molecular Properties

Compound Name4-phenyl-N-(4-phenylphenyl)-N-[4-[5-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]aniline
PubChem CID155423361
Molecular FormulaC58H39NO
Molecular Weight765.96 g/mol
Exact Mass765.30
IUPAC Name4-phenyl-N-(4-phenylphenyl)-N-[4-[5-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5oc6c7ccccc7c(-c7ccccc7-c7ccccc7)cc6c45)cc3)cc2)cc1
InChIInChI=1S/C58H39NO/c1-4-15-40(16-5-1)42-27-33-46(34-28-42)59(47-35-29-43(30-36-47)41-17-6-2-7-18-41)48-37-31-45(32-38-48)50-25-14-26-56-57(50)55-39-54(52-23-12-13-24-53(52)58(55)60-56)51-22-11-10-21-49(51)44-19-8-3-9-20-44/h1-39H
InChIKeyKODXPOIWFZPBBR-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

Analyze 4-phenyl-N-(4-phenylphenyl)-N-[4-[5-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]aniline with MolForge

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Related Compounds

7-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423690
N-naphthalen-1-yl-5-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 155423840
N-(2-phenylphenyl)-N,7-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423438
7-phenyl-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
CID 155423526
N-[4-(7-chloronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-N,4-diphenylaniline
CID 167190989
N-[4-[5-(4,6-diphenylpyrimidin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]-N,4-diphenylaniline
CID 166975163
N-dibenzofuran-4-yl-N,7-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423986
N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-N,4-diphenylaniline
CID 154961695
N-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N,4-diphenylaniline
CID 167556032
7-(2-phenylphenyl)-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
CID 155424007
N-[4-(5,9-diphenylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 167253431
5-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 155423267

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-[5-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]aniline?
The IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-[5-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]aniline (CID 155423361) is 4-phenyl-N-(4-phenylphenyl)-N-[4-[5-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]aniline.
What is the SMILES notation for 4-phenyl-N-(4-phenylphenyl)-N-[4-[5-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]aniline?
The canonical SMILES for 4-phenyl-N-(4-phenylphenyl)-N-[4-[5-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5oc6c7ccccc7c(-c7ccccc7-c7ccccc7)cc6c45)cc3)cc2)cc1.
What is the InChIKey of 4-phenyl-N-(4-phenylphenyl)-N-[4-[5-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]aniline?
The InChIKey is KODXPOIWFZPBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39NO/c1-4-15-40(16-5-1)42-27-33-46(34-28-42)59(47-35-29-43(30-36-47)41-17-6-2-7-18-41)48-37-31-45(32-38-48)50-25-14-26-56-57(50)55-39-54(52-23-12-13-24-53(52)58(55)60-56)51-22-11-10-21-49(51)44-19-8-3-9-20-44/h1-39H.
What are the key properties of 4-phenyl-N-(4-phenylphenyl)-N-[4-[5-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]aniline?
4-phenyl-N-(4-phenylphenyl)-N-[4-[5-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]aniline 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 4-phenyl-N-(4-phenylphenyl)-N-[4-[5-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]aniline is sourced from PubChem (CID 155423361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).