N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-2-(3-phenyl-1-benzofuran-2-yl)aniline

C56H37NO — CID 170401905

IUPACN-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-2-(3-phenyl-1-benzofuran-2-yl)aniline
SMILESc1ccc(-c2c(-c3ccccc3N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc(-c4cc5ccccc5c5ccccc45)cc3)oc3ccccc23)cc1
InChIInChI=1S/C56H37NO/c1-2-16-41(17-3-1)55-51-25-11-13-28-54(51)58-56(55)50-24-10-12-27-53(50)57(43-33-29-39(30-34-43)46-26-14-19-38-15-4-6-20-45(38)46)44-35-31-40(32-36-44)52-37-42-18-5-7-21-47(42)48-22-8-9-23-49(48)52/h1-37H
InChIKeySAQJPVMBZMXWOM-UHFFFAOYSA-N
MW739.92 g/mol
LogP16.03
Rot. Bonds7

About N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-2-(3-phenyl-1-benzofuran-2-yl)aniline

N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-2-(3-phenyl-1-benzofuran-2-yl)aniline (PubChem CID 170401905) has the molecular formula C56H37NO and a molecular weight of 739.92 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-2-(3-phenyl-1-benzofuran-2-yl)aniline.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-2-(3-phenyl-1-benzofuran-2-yl)aniline
PubChem CID170401905
Molecular FormulaC56H37NO
Molecular Weight739.92 g/mol
Exact Mass739.29
IUPAC NameN-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-2-(3-phenyl-1-benzofuran-2-yl)aniline
SMILESc1ccc(-c2c(-c3ccccc3N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc(-c4cc5ccccc5c5ccccc45)cc3)oc3ccccc23)cc1
InChIInChI=1S/C56H37NO/c1-2-16-41(17-3-1)55-51-25-11-13-28-54(51)58-56(55)50-24-10-12-27-53(50)57(43-33-29-39(30-34-43)46-26-14-19-38-15-4-6-20-45(38)46)44-35-31-40(32-36-44)52-37-42-18-5-7-21-47(42)48-22-8-9-23-49(48)52/h1-37H
InChIKeySAQJPVMBZMXWOM-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-2-(3-phenyl-1-benzofuran-2-yl)aniline
CID 170401915
N-(4-phenanthren-2-ylphenyl)-2-(3-phenyl-1-benzofuran-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170402015
N-phenyl-N-[2-(3-phenyl-1-benzofuran-2-yl)phenyl]naphthalen-1-amine
CID 170526305
N-phenyl-2-(3-phenyl-1-benzofuran-2-yl)-N-(4-phenylphenyl)aniline
CID 170401910
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]naphthalen-1-amine
CID 170402291
N-(4-phenanthren-9-ylphenyl)-4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 170399042
N-(4-phenanthren-9-ylphenyl)-4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 170399040
N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 170399193
N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine
CID 170399211
5-naphtho[2,1-b][1]benzofuran-2-yl-N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)naphthalen-2-amine
CID 170127453
N-(4-chrysen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
CID 170141965
N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 170526212

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-2-(3-phenyl-1-benzofuran-2-yl)aniline?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-2-(3-phenyl-1-benzofuran-2-yl)aniline (CID 170401905) is N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-2-(3-phenyl-1-benzofuran-2-yl)aniline.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-2-(3-phenyl-1-benzofuran-2-yl)aniline?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-2-(3-phenyl-1-benzofuran-2-yl)aniline is c1ccc(-c2c(-c3ccccc3N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc(-c4cc5ccccc5c5ccccc45)cc3)oc3ccccc23)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-2-(3-phenyl-1-benzofuran-2-yl)aniline?
The InChIKey is SAQJPVMBZMXWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37NO/c1-2-16-41(17-3-1)55-51-25-11-13-28-54(51)58-56(55)50-24-10-12-27-53(50)57(43-33-29-39(30-34-43)46-26-14-19-38-15-4-6-20-45(38)46)44-35-31-40(32-36-44)52-37-42-18-5-7-21-47(42)48-22-8-9-23-49(48)52/h1-37H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-2-(3-phenyl-1-benzofuran-2-yl)aniline?
N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-2-(3-phenyl-1-benzofuran-2-yl)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)-N-(4-phenanthren-9-ylphenyl)-2-(3-phenyl-1-benzofuran-2-yl)aniline is sourced from PubChem (CID 170401905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).