N-(3-dibenzofuran-2-ylphenyl)-2-phenanthren-1-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline

C60H39NO — CID 170301489

IUPACN-(3-dibenzofuran-2-ylphenyl)-2-phenanthren-1-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
SMILESc1ccc(-c2cccc3cccc(-c4ccccc4N(c4cccc(-c5ccc6oc7ccccc7c6c5)c4)c4ccccc4-c4cccc5c4ccc4ccccc45)c23)cc1
InChIInChI=1S/C60H39NO/c1-2-16-40(17-3-1)47-27-13-19-42-20-14-30-54(60(42)47)52-25-7-10-32-57(52)61(45-22-12-21-43(38-45)44-35-37-59-55(39-44)53-26-8-11-33-58(53)62-59)56-31-9-6-24-51(56)49-29-15-28-48-46-23-5-4-18-41(46)34-36-50(48)49/h1-39H
InChIKeyZUKGIPAWUFWUJG-UHFFFAOYSA-N
MW789.98 g/mol
LogP17.18
Rot. Bonds7

About N-(3-dibenzofuran-2-ylphenyl)-2-phenanthren-1-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline

N-(3-dibenzofuran-2-ylphenyl)-2-phenanthren-1-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline (PubChem CID 170301489) has the molecular formula C60H39NO and a molecular weight of 789.98 g/mol. Its IUPAC name is N-(3-dibenzofuran-2-ylphenyl)-2-phenanthren-1-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline.

Molecular Properties

Compound NameN-(3-dibenzofuran-2-ylphenyl)-2-phenanthren-1-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
PubChem CID170301489
Molecular FormulaC60H39NO
Molecular Weight789.98 g/mol
Exact Mass789.30
IUPAC NameN-(3-dibenzofuran-2-ylphenyl)-2-phenanthren-1-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
SMILESc1ccc(-c2cccc3cccc(-c4ccccc4N(c4cccc(-c5ccc6oc7ccccc7c6c5)c4)c4ccccc4-c4cccc5c4ccc4ccccc45)c23)cc1
InChIInChI=1S/C60H39NO/c1-2-16-40(17-3-1)47-27-13-19-42-20-14-30-54(60(42)47)52-25-7-10-32-57(52)61(45-22-12-21-43(38-45)44-35-37-59-55(39-44)53-26-8-11-33-58(53)62-59)56-31-9-6-24-51(56)49-29-15-28-48-46-23-5-4-18-41(46)34-36-50(48)49/h1-39H
InChIKeyZUKGIPAWUFWUJG-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-(3-dibenzofuran-2-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-2-amine
CID 170300509
N-(3-dibenzofuran-3-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 170294769
N-(4-dibenzofuran-2-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 170294764
N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 170294786
N-(2-naphthalen-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 170301571
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170294640
N-(4-dibenzofuran-1-ylphenyl)-N-(3-phenanthren-1-ylphenyl)-2-(4-phenanthren-3-ylphenyl)aniline
CID 176810652
N-(4-dibenzofuran-1-ylphenyl)-N-(3-phenanthren-1-ylphenyl)-2-(4-phenanthren-1-ylphenyl)aniline
CID 176810481
N-(4-dibenzofuran-2-ylphenyl)-2-phenanthren-2-yl-N-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-3-(3-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-3-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3-phenanthren-2-ylphenyl)phenyl]-4-phenylaniline
CID 157300254
N-(3-dibenzofuran-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline
CID 170301232
N-(4-dibenzofuran-1-ylphenyl)-2-phenanthren-1-yl-N-[4-(4-phenanthren-3-ylphenyl)phenyl]aniline
CID 176810675
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 167182926

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-2-ylphenyl)-2-phenanthren-1-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The IUPAC name of N-(3-dibenzofuran-2-ylphenyl)-2-phenanthren-1-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline (CID 170301489) is N-(3-dibenzofuran-2-ylphenyl)-2-phenanthren-1-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline.
What is the SMILES notation for N-(3-dibenzofuran-2-ylphenyl)-2-phenanthren-1-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The canonical SMILES for N-(3-dibenzofuran-2-ylphenyl)-2-phenanthren-1-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline is c1ccc(-c2cccc3cccc(-c4ccccc4N(c4cccc(-c5ccc6oc7ccccc7c6c5)c4)c4ccccc4-c4cccc5c4ccc4ccccc45)c23)cc1.
What is the InChIKey of N-(3-dibenzofuran-2-ylphenyl)-2-phenanthren-1-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The InChIKey is ZUKGIPAWUFWUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39NO/c1-2-16-40(17-3-1)47-27-13-19-42-20-14-30-54(60(42)47)52-25-7-10-32-57(52)61(45-22-12-21-43(38-45)44-35-37-59-55(39-44)53-26-8-11-33-58(53)62-59)56-31-9-6-24-51(56)49-29-15-28-48-46-23-5-4-18-41(46)34-36-50(48)49/h1-39H.
What are the key properties of N-(3-dibenzofuran-2-ylphenyl)-2-phenanthren-1-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
N-(3-dibenzofuran-2-ylphenyl)-2-phenanthren-1-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline 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-(3-dibenzofuran-2-ylphenyl)-2-phenanthren-1-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline is sourced from PubChem (CID 170301489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).