N-(3-dibenzofuran-4-ylphenyl)-5-phenanthren-9-yl-2-phenyl-N-(4-phenylphenyl)aniline

C56H37NO — CID 167234646

IUPACN-(3-dibenzofuran-4-ylphenyl)-5-phenanthren-9-yl-2-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3cccc(-c4cccc5c4oc4ccccc45)c3)c3cc(-c4cc5ccccc5c5ccccc45)ccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C56H37NO/c1-3-15-38(16-4-1)39-29-32-44(33-30-39)57(45-21-13-20-41(35-45)48-26-14-27-52-51-25-11-12-28-55(51)58-56(48)52)54-37-43(31-34-47(54)40-17-5-2-6-18-40)53-36-42-19-7-8-22-46(42)49-23-9-10-24-50(49)53/h1-37H
InChIKeyZZNNAAZYMFJQIZ-UHFFFAOYSA-N
MW739.92 g/mol
LogP16.03
Rot. Bonds7

About N-(3-dibenzofuran-4-ylphenyl)-5-phenanthren-9-yl-2-phenyl-N-(4-phenylphenyl)aniline

N-(3-dibenzofuran-4-ylphenyl)-5-phenanthren-9-yl-2-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 167234646) has the molecular formula C56H37NO and a molecular weight of 739.92 g/mol. Its IUPAC name is N-(3-dibenzofuran-4-ylphenyl)-5-phenanthren-9-yl-2-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(3-dibenzofuran-4-ylphenyl)-5-phenanthren-9-yl-2-phenyl-N-(4-phenylphenyl)aniline
PubChem CID167234646
Molecular FormulaC56H37NO
Molecular Weight739.92 g/mol
Exact Mass739.29
IUPAC NameN-(3-dibenzofuran-4-ylphenyl)-5-phenanthren-9-yl-2-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3cccc(-c4cccc5c4oc4ccccc45)c3)c3cc(-c4cc5ccccc5c5ccccc45)ccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C56H37NO/c1-3-15-38(16-4-1)39-29-32-44(33-30-39)57(45-21-13-20-41(35-45)48-26-14-27-52-51-25-11-12-28-55(51)58-56(48)52)54-37-43(31-34-47(54)40-17-5-2-6-18-40)53-36-42-19-7-8-22-46(42)49-23-9-10-24-50(49)53/h1-37H
InChIKeyZZNNAAZYMFJQIZ-UHFFFAOYSA-N
XLogP16.03
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.92
LogP ≤ 516.03
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-dibenzofuran-4-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-5-phenanthren-9-yl-2-phenylaniline
CID 167234101
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-5-phenanthren-9-yl-2-phenylaniline
CID 167235395
N-(3-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(5-phenanthren-9-yl-2-phenylphenyl)fluoren-2-amine
CID 167233836
4-dibenzofuran-4-yl-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline
CID 155303641
N-(3-phenanthren-9-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069616
N-(4-dibenzofuran-4-ylphenyl)-5-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
CID 167235615
N-(5-phenanthren-9-yl-2-phenylphenyl)-N-phenyldibenzofuran-3-amine
CID 167235145
N-(3-dibenzofuran-2-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzofuran-2-amine
CID 167236593
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-phenanthren-9-yl-N-(2-phenylphenyl)fluoren-2-amine
CID 121321641
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-5-naphthalen-1-yl-2-phenylaniline
CID 167235611
4-phenanthren-9-yl-N-(4-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069305
N-(4-phenanthren-9-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 167397469

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-5-phenanthren-9-yl-2-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-5-phenanthren-9-yl-2-phenyl-N-(4-phenylphenyl)aniline (CID 167234646) is N-(3-dibenzofuran-4-ylphenyl)-5-phenanthren-9-yl-2-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-(3-dibenzofuran-4-ylphenyl)-5-phenanthren-9-yl-2-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-(3-dibenzofuran-4-ylphenyl)-5-phenanthren-9-yl-2-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3cccc(-c4cccc5c4oc4ccccc45)c3)c3cc(-c4cc5ccccc5c5ccccc45)ccc3-c3ccccc3)cc2)cc1.
What is the InChIKey of N-(3-dibenzofuran-4-ylphenyl)-5-phenanthren-9-yl-2-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is ZZNNAAZYMFJQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37NO/c1-3-15-38(16-4-1)39-29-32-44(33-30-39)57(45-21-13-20-41(35-45)48-26-14-27-52-51-25-11-12-28-55(51)58-56(48)52)54-37-43(31-34-47(54)40-17-5-2-6-18-40)53-36-42-19-7-8-22-46(42)49-23-9-10-24-50(49)53/h1-37H.
What are the key properties of N-(3-dibenzofuran-4-ylphenyl)-5-phenanthren-9-yl-2-phenyl-N-(4-phenylphenyl)aniline?
N-(3-dibenzofuran-4-ylphenyl)-5-phenanthren-9-yl-2-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 739.92 g/mol, XLogP of 16.03, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-4-ylphenyl)-5-phenanthren-9-yl-2-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 167234646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).