N-(4-dibenzofuran-4-ylphenyl)-N-(5-phenanthren-1-yl-2-phenylphenyl)dibenzofuran-1-amine

C56H35NO2 — CID 167234637

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-(5-phenanthren-1-yl-2-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(-c3cccc4c3ccc3ccccc34)cc2N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C56H35NO2/c1-2-13-36(14-3-1)43-33-30-39(42-19-10-21-45-41-16-5-4-15-37(41)29-34-46(42)45)35-51(43)57(50-23-12-26-54-55(50)49-18-7-9-25-53(49)58-54)40-31-27-38(28-32-40)44-20-11-22-48-47-17-6-8-24-52(47)59-56(44)48/h1-35H
InChIKeyVKVPLYSXMSIZRP-UHFFFAOYSA-N
MW753.90 g/mol
LogP16.26
Rot. Bonds6

About N-(4-dibenzofuran-4-ylphenyl)-N-(5-phenanthren-1-yl-2-phenylphenyl)dibenzofuran-1-amine

N-(4-dibenzofuran-4-ylphenyl)-N-(5-phenanthren-1-yl-2-phenylphenyl)dibenzofuran-1-amine (PubChem CID 167234637) has the molecular formula C56H35NO2 and a molecular weight of 753.90 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-(5-phenanthren-1-yl-2-phenylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-(5-phenanthren-1-yl-2-phenylphenyl)dibenzofuran-1-amine
PubChem CID167234637
Molecular FormulaC56H35NO2
Molecular Weight753.90 g/mol
Exact Mass753.27
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-(5-phenanthren-1-yl-2-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(-c3cccc4c3ccc3ccccc34)cc2N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C56H35NO2/c1-2-13-36(14-3-1)43-33-30-39(42-19-10-21-45-41-16-5-4-15-37(41)29-34-46(42)45)35-51(43)57(50-23-12-26-54-55(50)49-18-7-9-25-53(49)58-54)40-31-27-38(28-32-40)44-20-11-22-48-47-17-6-8-24-52(47)59-56(44)48/h1-35H
InChIKeyVKVPLYSXMSIZRP-UHFFFAOYSA-N
XLogP16.26
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.90
LogP ≤ 516.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(4-phenanthren-2-ylphenyl)-N-(5-phenanthren-1-yl-2-phenylphenyl)dibenzofuran-1-amine
CID 167234406
N-(5-naphthalen-1-yl-2-phenylphenyl)-N-phenyldibenzofuran-1-amine
CID 167234331
N-dibenzofuran-1-yl-N-[2-(4-dibenzofuran-4-ylphenyl)-5-phenylphenyl]dibenzofuran-3-amine
CID 176763165
N-(4-dibenzofuran-4-ylphenyl)-5-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
CID 167235615
N-(4-dibenzofuran-4-ylphenyl)-N-(2-naphthalen-1-ylphenyl)-2-(3-naphthalen-1-ylphenyl)aniline
CID 155374438
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-5-phenanthren-9-yl-2-phenylaniline
CID 167234101
N-(4-dibenzofuran-2-ylphenyl)-5-phenanthren-1-yl-2-phenyl-N-(4-phenylphenyl)aniline
CID 167235297
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-1-amine
CID 167234974
N-phenanthren-1-yl-4-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820432
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenanthren-1-ylphenyl)-6-phenyldibenzofuran-1-amine
CID 176810422
N-(2-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 155186869
N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)naphthalen-1-amine
CID 170676822

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-(5-phenanthren-1-yl-2-phenylphenyl)dibenzofuran-1-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-(5-phenanthren-1-yl-2-phenylphenyl)dibenzofuran-1-amine (CID 167234637) is N-(4-dibenzofuran-4-ylphenyl)-N-(5-phenanthren-1-yl-2-phenylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-(5-phenanthren-1-yl-2-phenylphenyl)dibenzofuran-1-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-(5-phenanthren-1-yl-2-phenylphenyl)dibenzofuran-1-amine is c1ccc(-c2ccc(-c3cccc4c3ccc3ccccc34)cc2N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2cccc3oc4ccccc4c23)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-(5-phenanthren-1-yl-2-phenylphenyl)dibenzofuran-1-amine?
The InChIKey is VKVPLYSXMSIZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35NO2/c1-2-13-36(14-3-1)43-33-30-39(42-19-10-21-45-41-16-5-4-15-37(41)29-34-46(42)45)35-51(43)57(50-23-12-26-54-55(50)49-18-7-9-25-53(49)58-54)40-31-27-38(28-32-40)44-20-11-22-48-47-17-6-8-24-52(47)59-56(44)48/h1-35H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-(5-phenanthren-1-yl-2-phenylphenyl)dibenzofuran-1-amine?
N-(4-dibenzofuran-4-ylphenyl)-N-(5-phenanthren-1-yl-2-phenylphenyl)dibenzofuran-1-amine has a molecular weight of 753.90 g/mol, XLogP of 16.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-N-(5-phenanthren-1-yl-2-phenylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 167234637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).