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

C56H37NO — CID 170401768

IUPACN-naphthalen-1-yl-N-[4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]phenanthren-2-amine
SMILESc1ccc(-c2c(-c3cccc(-c4ccc(-c5ccc(N(c6ccc7c(ccc8ccccc87)c6)c6cccc7ccccc67)cc5)cc4)c3)oc3ccccc23)cc1
InChIInChI=1S/C56H37NO/c1-2-14-43(15-3-1)55-52-21-8-9-23-54(52)58-56(55)46-18-10-17-44(36-46)40-26-24-38(25-27-40)39-30-32-47(33-31-39)57(53-22-11-16-41-12-5-7-20-51(41)53)48-34-35-50-45(37-48)29-28-42-13-4-6-19-49(42)50/h1-37H
InChIKeyPOBJZSXFXGDAGI-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-2-amine

N-naphthalen-1-yl-N-[4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]phenanthren-2-amine (PubChem CID 170401768) 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-2-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-[4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]phenanthren-2-amine
PubChem CID170401768
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-2-amine
SMILESc1ccc(-c2c(-c3cccc(-c4ccc(-c5ccc(N(c6ccc7c(ccc8ccccc87)c6)c6cccc7ccccc67)cc5)cc4)c3)oc3ccccc23)cc1
InChIInChI=1S/C56H37NO/c1-2-14-43(15-3-1)55-52-21-8-9-23-54(52)58-56(55)46-18-10-17-44(36-46)40-26-24-38(25-27-40)39-30-32-47(33-31-39)57(53-22-11-16-41-12-5-7-20-51(41)53)48-34-35-50-45(37-48)29-28-42-13-4-6-19-49(42)50/h1-37H
InChIKeyPOBJZSXFXGDAGI-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-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 170526453
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-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-2-amine
CID 170399133
N-naphthalen-1-yl-N-[4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]phenanthren-9-amine
CID 170401598
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)-3-phenyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]aniline
CID 170526121
N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine
CID 170400243
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]naphthalen-1-amine
CID 170402291
N-naphthalen-2-yl-N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]naphthalen-2-amine
CID 170399013
N-phenyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]naphthalen-1-amine
CID 170400225
N-(4-phenanthren-2-ylphenyl)-2-(3-phenyl-1-benzofuran-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170402015
N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-2-(3-phenyl-1-benzofuran-2-yl)aniline
CID 170401915

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-2-amine?
The IUPAC name of N-naphthalen-1-yl-N-[4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]phenanthren-2-amine (CID 170401768) is N-naphthalen-1-yl-N-[4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]phenanthren-2-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-2-amine?
The canonical SMILES for N-naphthalen-1-yl-N-[4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]phenanthren-2-amine is c1ccc(-c2c(-c3cccc(-c4ccc(-c5ccc(N(c6ccc7c(ccc8ccccc87)c6)c6cccc7ccccc67)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-2-amine?
The InChIKey is POBJZSXFXGDAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37NO/c1-2-14-43(15-3-1)55-52-21-8-9-23-54(52)58-56(55)46-18-10-17-44(36-46)40-26-24-38(25-27-40)39-30-32-47(33-31-39)57(53-22-11-16-41-12-5-7-20-51(41)53)48-34-35-50-45(37-48)29-28-42-13-4-6-19-49(42)50/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-2-amine?
N-naphthalen-1-yl-N-[4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]phenanthren-2-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-2-amine is sourced from PubChem (CID 170401768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).