N-(4-dibenzofuran-4-ylphenyl)-2-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline

C53H37NO — CID 155119854

IUPACN-(4-dibenzofuran-4-ylphenyl)-2-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
SMILESCc1cc(-c2ccccc2)ccc1N(c1ccc(-c2ccc(-c3cccc4ccccc34)cc2)cc1)c1ccc(-c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C53H37NO/c1-36-35-43(37-11-3-2-4-12-37)29-34-51(36)54(45-32-27-42(28-33-45)48-18-10-19-50-49-16-7-8-20-52(49)55-53(48)50)44-30-25-39(26-31-44)38-21-23-41(24-22-38)47-17-9-14-40-13-5-6-15-46(40)47/h2-35H,1H3
InChIKeyHJQZEPQXCWASLI-UHFFFAOYSA-N
MW703.89 g/mol
LogP15.19
Rot. Bonds7

About N-(4-dibenzofuran-4-ylphenyl)-2-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline

N-(4-dibenzofuran-4-ylphenyl)-2-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline (PubChem CID 155119854) has the molecular formula C53H37NO and a molecular weight of 703.89 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-2-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-2-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
PubChem CID155119854
Molecular FormulaC53H37NO
Molecular Weight703.89 g/mol
Exact Mass703.29
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-2-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
SMILESCc1cc(-c2ccccc2)ccc1N(c1ccc(-c2ccc(-c3cccc4ccccc34)cc2)cc1)c1ccc(-c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C53H37NO/c1-36-35-43(37-11-3-2-4-12-37)29-34-51(36)54(45-32-27-42(28-33-45)48-18-10-19-50-49-16-7-8-20-52(49)55-53(48)50)44-30-25-39(26-31-44)38-21-23-41(24-22-38)47-17-9-14-40-13-5-6-15-46(40)47/h2-35H,1H3
InChIKeyHJQZEPQXCWASLI-UHFFFAOYSA-N
XLogP15.19
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.89
LogP ≤ 515.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4-dibenzofuran-4-ylphenyl)-2-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-2-methyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 138708428
2-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline
CID 176763153
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-methyl-4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 155119848
N-[4-[4-(4-dibenzofuran-4-yl-N-[2-methyl-6-(4-phenylphenyl)phenyl]anilino)-3-methylphenyl]-2-methylphenyl]-N-(4-dibenzofuran-4-ylphenyl)-2-methyl-6-(4-phenylphenyl)aniline
CID 121323023
N-[4-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 121299017
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 126709628
4-dibenzofuran-4-yl-3-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-2-methyl-N-[2-methyl-4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline;N-[4-(2-methyldibenzofuran-4-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 160529998
N-(4-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 159404463
N-(4-dibenzofuran-4-ylphenyl)-5-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
CID 167235615
2-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
CID 126709649
N-(4-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 157200619
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 59136875

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-2-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-2-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline (CID 155119854) is N-(4-dibenzofuran-4-ylphenyl)-2-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-2-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-2-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline is Cc1cc(-c2ccccc2)ccc1N(c1ccc(-c2ccc(-c3cccc4ccccc34)cc2)cc1)c1ccc(-c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-2-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline?
The InChIKey is HJQZEPQXCWASLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37NO/c1-36-35-43(37-11-3-2-4-12-37)29-34-51(36)54(45-32-27-42(28-33-45)48-18-10-19-50-49-16-7-8-20-52(49)55-53(48)50)44-30-25-39(26-31-44)38-21-23-41(24-22-38)47-17-9-14-40-13-5-6-15-46(40)47/h2-35H,1H3.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-2-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline?
N-(4-dibenzofuran-4-ylphenyl)-2-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline has a molecular weight of 703.89 g/mol, XLogP of 15.19, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-2-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline is sourced from PubChem (CID 155119854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).