N-(4-naphthalen-2-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-3,4-diphenylaniline

C56H37NO — CID 174274328

IUPACN-(4-naphthalen-2-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-3,4-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc3-c3cccc4c3oc3c5ccccc5ccc43)cc2-c2ccccc2)cc1
InChIInChI=1S/C56H37NO/c1-3-15-40(16-4-1)47-35-33-46(37-53(47)41-17-5-2-6-18-41)57(45-31-28-39(29-32-45)44-27-26-38-14-7-8-20-43(38)36-44)54-25-12-11-22-49(54)50-23-13-24-51-52-34-30-42-19-9-10-21-48(42)55(52)58-56(50)51/h1-37H
InChIKeyNCDSPKZSWWZQSG-UHFFFAOYSA-N
MW739.92 g/mol
LogP16.03
Rot. Bonds7

About N-(4-naphthalen-2-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-3,4-diphenylaniline

N-(4-naphthalen-2-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-3,4-diphenylaniline (PubChem CID 174274328) has the molecular formula C56H37NO and a molecular weight of 739.92 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-3,4-diphenylaniline.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-3,4-diphenylaniline
PubChem CID174274328
Molecular FormulaC56H37NO
Molecular Weight739.92 g/mol
Exact Mass739.29
IUPAC NameN-(4-naphthalen-2-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-3,4-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc3-c3cccc4c3oc3c5ccccc5ccc43)cc2-c2ccccc2)cc1
InChIInChI=1S/C56H37NO/c1-3-15-40(16-4-1)47-35-33-46(37-53(47)41-17-5-2-6-18-41)57(45-31-28-39(29-32-45)44-27-26-38-14-7-8-20-43(38)36-44)54-25-12-11-22-49(54)50-23-13-24-51-52-34-30-42-19-9-10-21-48(42)55(52)58-56(50)51/h1-37H
InChIKeyNCDSPKZSWWZQSG-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-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 166938678
N-(4-naphthalen-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]naphthalen-1-amine
CID 167236501
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-2-phenylaniline
CID 174274045
N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-3,4-diphenylaniline
CID 174275343
N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739200
N-(2-dibenzofuran-4-ylphenyl)-N-[4-(2,4-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738107
N-[4-(3,4-diphenylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenanthren-2-ylphenyl)aniline
CID 167331127
N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 174274854
N-[2-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 174258910
N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenylaniline
CID 167331075
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-yl-N-(3-phenylphenyl)aniline
CID 167330277
N-(4-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172502739

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-3,4-diphenylaniline?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-3,4-diphenylaniline (CID 174274328) is N-(4-naphthalen-2-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-3,4-diphenylaniline.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-3,4-diphenylaniline?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-3,4-diphenylaniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc3-c3cccc4c3oc3c5ccccc5ccc43)cc2-c2ccccc2)cc1.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-3,4-diphenylaniline?
The InChIKey is NCDSPKZSWWZQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37NO/c1-3-15-40(16-4-1)47-35-33-46(37-53(47)41-17-5-2-6-18-41)57(45-31-28-39(29-32-45)44-27-26-38-14-7-8-20-43(38)36-44)54-25-12-11-22-49(54)50-23-13-24-51-52-34-30-42-19-9-10-21-48(42)55(52)58-56(50)51/h1-37H.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-3,4-diphenylaniline?
N-(4-naphthalen-2-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-3,4-diphenylaniline 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-2-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-3,4-diphenylaniline is sourced from PubChem (CID 174274328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).