N-naphthalen-1-yl-N-[4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]phenanthren-9-amine

C56H37NO — CID 170401598

IUPACN-naphthalen-1-yl-N-[4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]phenanthren-9-amine
SMILESc1ccc(-c2c(-c3cccc(-c4ccc(-c5ccc(N(c6cccc7ccccc67)c6cc7ccccc7c7ccccc67)cc5)cc4)c3)oc3ccccc23)cc1
InChIInChI=1S/C56H37NO/c1-2-15-42(16-3-1)55-51-25-10-11-27-54(51)58-56(55)45-20-12-19-43(36-45)40-30-28-38(29-31-40)39-32-34-46(35-33-39)57(52-26-13-18-41-14-4-7-22-48(41)52)53-37-44-17-5-6-21-47(44)49-23-8-9-24-50(49)53/h1-37H
InChIKeyWLOFYLLSAARLCD-UHFFFAOYSA-N
MW739.92 g/mol
LogP16.03
Rot. Bonds7

About N-naphthalen-1-yl-N-[4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]phenanthren-9-amine

N-naphthalen-1-yl-N-[4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]phenanthren-9-amine (PubChem CID 170401598) has the molecular formula C56H37NO and a molecular weight of 739.92 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-[4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]phenanthren-9-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-[4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]phenanthren-9-amine
PubChem CID170401598
Molecular FormulaC56H37NO
Molecular Weight739.92 g/mol
Exact Mass739.29
IUPAC NameN-naphthalen-1-yl-N-[4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]phenanthren-9-amine
SMILESc1ccc(-c2c(-c3cccc(-c4ccc(-c5ccc(N(c6cccc7ccccc67)c6cc7ccccc7c7ccccc67)cc5)cc4)c3)oc3ccccc23)cc1
InChIInChI=1S/C56H37NO/c1-2-15-42(16-3-1)55-51-25-10-11-27-54(51)58-56(55)45-20-12-19-43(36-45)40-30-28-38(29-31-40)39-32-34-46(35-33-39)57(52-26-13-18-41-14-4-7-22-48(41)52)53-37-44-17-5-6-21-47(44)49-23-8-9-24-50(49)53/h1-37H
InChIKeyWLOFYLLSAARLCD-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-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine
CID 170399211
N-naphthalen-1-yl-N-[4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]phenanthren-2-amine
CID 170401768
N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 170526453
N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 170399193
N-(4-phenanthren-2-ylphenyl)-N-[4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)aniline
CID 170401634
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-(3-phenylphenyl)phenyl]aniline
CID 170399040
N-(4-phenanthren-9-ylphenyl)-4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 170399042
N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 170526212
N-(4-phenanthren-2-ylphenyl)-3-phenyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]aniline
CID 170526121
N-[4-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]phenanthren-9-amine
CID 170401534
N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]aniline
CID 170401670

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-[4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]phenanthren-9-amine?
The IUPAC name of N-naphthalen-1-yl-N-[4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]phenanthren-9-amine (CID 170401598) is N-naphthalen-1-yl-N-[4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]phenanthren-9-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-[4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]phenanthren-9-amine?
The canonical SMILES for N-naphthalen-1-yl-N-[4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]phenanthren-9-amine is c1ccc(-c2c(-c3cccc(-c4ccc(-c5ccc(N(c6cccc7ccccc67)c6cc7ccccc7c7ccccc67)cc5)cc4)c3)oc3ccccc23)cc1.
What is the InChIKey of N-naphthalen-1-yl-N-[4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]phenanthren-9-amine?
The InChIKey is WLOFYLLSAARLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37NO/c1-2-15-42(16-3-1)55-51-25-10-11-27-54(51)58-56(55)45-20-12-19-43(36-45)40-30-28-38(29-31-40)39-32-34-46(35-33-39)57(52-26-13-18-41-14-4-7-22-48(41)52)53-37-44-17-5-6-21-47(44)49-23-8-9-24-50(49)53/h1-37H.
What are the key properties of N-naphthalen-1-yl-N-[4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]phenanthren-9-amine?
N-naphthalen-1-yl-N-[4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]phenanthren-9-amine 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-naphthalen-1-yl-N-[4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]phenanthren-9-amine is sourced from PubChem (CID 170401598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).