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

C58H39NO — CID 170526212

IUPACN-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccc(N(c3cccc(-c4oc5ccccc5c4-c4ccccc4)c3)c3cc4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C58H39NO/c1-3-18-40(19-4-1)47-25-9-11-28-50(47)51-29-12-10-26-48(51)41-34-36-45(37-35-41)59(55-39-43-22-7-8-27-49(43)52-30-13-14-31-53(52)55)46-24-17-23-44(38-46)58-57(42-20-5-2-6-21-42)54-32-15-16-33-56(54)60-58/h1-39H
InChIKeyAISMDPZPBXNOBZ-UHFFFAOYSA-N
MW765.96 g/mol
LogP16.54
Rot. Bonds8

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

N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine (PubChem CID 170526212) has the molecular formula C58H39NO and a molecular weight of 765.96 g/mol. Its IUPAC name is N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine.

Molecular Properties

Compound NameN-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
PubChem CID170526212
Molecular FormulaC58H39NO
Molecular Weight765.96 g/mol
Exact Mass765.30
IUPAC NameN-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccc(N(c3cccc(-c4oc5ccccc5c4-c4ccccc4)c3)c3cc4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C58H39NO/c1-3-18-40(19-4-1)47-25-9-11-28-50(47)51-29-12-10-26-48(51)41-34-36-45(37-35-41)59(55-39-43-22-7-8-27-49(43)52-30-13-14-31-53(52)55)46-24-17-23-44(38-46)58-57(42-20-5-2-6-21-42)54-32-15-16-33-56(54)60-58/h1-39H
InChIKeyAISMDPZPBXNOBZ-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

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-(4-phenanthren-9-ylphenyl)-4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 170399042
N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-2-amine
CID 170399133
N,2-diphenyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]aniline
CID 170400224
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-phenyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]naphthalen-1-amine
CID 170400225
3-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]aniline
CID 170402242
N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 170526453
N-(4-phenanthren-9-ylphenyl)-4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 170399040
N-(4-naphthalen-1-ylphenyl)-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]naphthalen-2-amine
CID 170400161
N-(4-phenanthren-2-ylphenyl)-3-phenyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]aniline
CID 170526121

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine?
The IUPAC name of N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine (CID 170526212) is N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine.
What is the SMILES notation for N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine?
The canonical SMILES for N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine is c1ccc(-c2ccccc2-c2ccccc2-c2ccc(N(c3cccc(-c4oc5ccccc5c4-c4ccccc4)c3)c3cc4ccccc4c4ccccc34)cc2)cc1.
What is the InChIKey of N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine?
The InChIKey is AISMDPZPBXNOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39NO/c1-3-18-40(19-4-1)47-25-9-11-28-50(47)51-29-12-10-26-48(51)41-34-36-45(37-35-41)59(55-39-43-22-7-8-27-49(43)52-30-13-14-31-53(52)55)46-24-17-23-44(38-46)58-57(42-20-5-2-6-21-42)54-32-15-16-33-56(54)60-58/h1-39H.
What are the key properties of N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine?
N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine 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 N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine is sourced from PubChem (CID 170526212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).