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

C60H39NO — CID 170399532

IUPACN-[4-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine
SMILESc1cc(-c2ccc(-c3ccc(N(c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4cc5ccccc5c5ccccc45)cc3)cc2)cc(-c2cc3ccccc3o2)c1
InChIInChI=1S/C60H39NO/c1-4-17-51-45(12-1)37-57(55-21-7-6-19-53(51)55)43-30-34-50(35-31-43)61(58-38-46-13-2-5-18-52(46)54-20-8-9-22-56(54)58)49-32-28-41(29-33-49)40-24-26-42(27-25-40)44-15-11-16-47(36-44)60-39-48-14-3-10-23-59(48)62-60/h1-39H
InChIKeyWILDYALHKAZJAG-UHFFFAOYSA-N
MW789.98 g/mol
LogP17.18
Rot. Bonds7

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

N-[4-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine (PubChem CID 170399532) has the molecular formula C60H39NO and a molecular weight of 789.98 g/mol. Its IUPAC name is N-[4-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine.

Molecular Properties

Compound NameN-[4-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine
PubChem CID170399532
Molecular FormulaC60H39NO
Molecular Weight789.98 g/mol
Exact Mass789.30
IUPAC NameN-[4-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine
SMILESc1cc(-c2ccc(-c3ccc(N(c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4cc5ccccc5c5ccccc45)cc3)cc2)cc(-c2cc3ccccc3o2)c1
InChIInChI=1S/C60H39NO/c1-4-17-51-45(12-1)37-57(55-21-7-6-19-53(51)55)43-30-34-50(35-31-43)61(58-38-46-13-2-5-18-52(46)54-20-8-9-22-56(54)58)49-32-28-41(29-33-49)40-24-26-42(27-25-40)44-15-11-16-47(36-44)60-39-48-14-3-10-23-59(48)62-60/h1-39H
InChIKeyWILDYALHKAZJAG-UHFFFAOYSA-N
XLogP17.18
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.98
LogP ≤ 517.18
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-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine
CID 170526424
3-(1-benzofuran-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)aniline
CID 170398554
N-[6-[3-(1-benzofuran-2-yl)phenyl]naphthalen-2-yl]-N-naphthalen-2-ylphenanthren-9-amine
CID 170400508
N-[4-[3-(1-benzofuran-2-yl)-4-phenylphenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine
CID 170400134
N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenanthren-9-ylphenyl)naphthalen-1-amine
CID 170399727
N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-9-amine
CID 170398479
N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenanthren-2-ylphenyl)phenanthren-9-amine
CID 170399855
6-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)naphthalen-2-amine
CID 170400536
N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenanthren-9-ylphenyl)-2-(4-phenylphenyl)aniline
CID 170399736
N-[4-[3-(1-benzofuran-2-yl)phenyl]naphthalen-1-yl]-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine
CID 170400839
4-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)naphthalen-1-amine
CID 170400850
4-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-phenylaniline
CID 170398135

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine?
The IUPAC name of N-[4-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine (CID 170399532) is N-[4-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine.
What is the SMILES notation for N-[4-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine?
The canonical SMILES for N-[4-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine is c1cc(-c2ccc(-c3ccc(N(c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4cc5ccccc5c5ccccc45)cc3)cc2)cc(-c2cc3ccccc3o2)c1.
What is the InChIKey of N-[4-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine?
The InChIKey is WILDYALHKAZJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39NO/c1-4-17-51-45(12-1)37-57(55-21-7-6-19-53(51)55)43-30-34-50(35-31-43)61(58-38-46-13-2-5-18-52(46)54-20-8-9-22-56(54)58)49-32-28-41(29-33-49)40-24-26-42(27-25-40)44-15-11-16-47(36-44)60-39-48-14-3-10-23-59(48)62-60/h1-39H.
What are the key properties of N-[4-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine?
N-[4-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine has a molecular weight of 789.98 g/mol, XLogP of 17.18, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine is sourced from PubChem (CID 170399532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).