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

C58H39NO — CID 170399211

IUPACN-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine
SMILESc1ccc(-c2ccccc2-c2ccc(N(c3ccc(-c4cccc(-c5oc6ccccc6c5-c5ccccc5)c4)cc3)c3cc4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C58H39NO/c1-3-16-41(17-4-1)49-23-9-10-24-50(49)42-32-36-48(37-33-42)59(55-39-45-20-7-8-25-51(45)52-26-11-12-27-53(52)55)47-34-30-40(31-35-47)44-21-15-22-46(38-44)58-57(43-18-5-2-6-19-43)54-28-13-14-29-56(54)60-58/h1-39H
InChIKeyQZSOCFDIYXHYDM-UHFFFAOYSA-N
MW765.96 g/mol
LogP16.54
Rot. Bonds8

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

N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine (PubChem CID 170399211) has the molecular formula C58H39NO and a molecular weight of 765.96 g/mol. Its IUPAC name is N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine.

Molecular Properties

Compound NameN-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine
PubChem CID170399211
Molecular FormulaC58H39NO
Molecular Weight765.96 g/mol
Exact Mass765.30
IUPAC NameN-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine
SMILESc1ccc(-c2ccccc2-c2ccc(N(c3ccc(-c4cccc(-c5oc6ccccc6c5-c5ccccc5)c4)cc3)c3cc4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C58H39NO/c1-3-16-41(17-4-1)49-23-9-10-24-50(49)42-32-36-48(37-33-42)59(55-39-45-20-7-8-25-51(45)52-26-11-12-27-53(52)55)47-34-30-40(31-35-47)44-21-15-22-46(38-44)58-57(43-18-5-2-6-19-43)54-28-13-14-29-56(54)60-58/h1-39H
InChIKeyQZSOCFDIYXHYDM-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-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 170526212
N-(4-phenanthren-9-ylphenyl)-4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 170399042
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-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-(2-phenylphenyl)phenyl]phenyl]phenanthren-2-amine
CID 170399133
4-(3-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]aniline
CID 170402257
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-2-phenyl-N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]aniline
CID 170402264
N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]aniline
CID 170401670
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-1-yl-N-[4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]phenanthren-2-amine
CID 170401768
N-[4-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]phenanthren-9-amine
CID 170401534

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine?
The IUPAC name of N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine (CID 170399211) is N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine.
What is the SMILES notation for N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine?
The canonical SMILES for N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine is c1ccc(-c2ccccc2-c2ccc(N(c3ccc(-c4cccc(-c5oc6ccccc6c5-c5ccccc5)c4)cc3)c3cc4ccccc4c4ccccc34)cc2)cc1.
What is the InChIKey of N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine?
The InChIKey is QZSOCFDIYXHYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39NO/c1-3-16-41(17-4-1)49-23-9-10-24-50(49)42-32-36-48(37-33-42)59(55-39-45-20-7-8-25-51(45)52-26-11-12-27-53(52)55)47-34-30-40(31-35-47)44-21-15-22-46(38-44)58-57(43-18-5-2-6-19-43)54-28-13-14-29-56(54)60-58/h1-39H.
What are the key properties of N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine?
N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(2-phenylphenyl)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-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine is sourced from PubChem (CID 170399211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).