N-(4-dibenzofuran-4-ylphenyl)-2,4-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine

C52H37NO — CID 155119937

IUPACN-(4-dibenzofuran-4-ylphenyl)-2,4-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine
SMILESCc1cc(C)c2ccccc2c1N(c1ccc(-c2ccc(-c3cccc4ccccc34)cc2)cc1)c1ccc(-c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C52H37NO/c1-34-33-35(2)51(48-16-6-5-13-43(34)48)53(42-31-27-40(28-32-42)46-18-10-19-49-47-15-7-8-20-50(47)54-52(46)49)41-29-25-37(26-30-41)36-21-23-39(24-22-36)45-17-9-12-38-11-3-4-14-44(38)45/h3-33H,1-2H3
InChIKeyTYWLKLMZUQOXFA-UHFFFAOYSA-N
MW691.87 g/mol
LogP14.98
Rot. Bonds6

About N-(4-dibenzofuran-4-ylphenyl)-2,4-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine

N-(4-dibenzofuran-4-ylphenyl)-2,4-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine (PubChem CID 155119937) has the molecular formula C52H37NO and a molecular weight of 691.87 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-2,4-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-2,4-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine
PubChem CID155119937
Molecular FormulaC52H37NO
Molecular Weight691.87 g/mol
Exact Mass691.29
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-2,4-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine
SMILESCc1cc(C)c2ccccc2c1N(c1ccc(-c2ccc(-c3cccc4ccccc34)cc2)cc1)c1ccc(-c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C52H37NO/c1-34-33-35(2)51(48-16-6-5-13-43(34)48)53(42-31-27-40(28-32-42)46-18-10-19-49-47-15-7-8-20-50(47)54-52(46)49)41-29-25-37(26-30-41)36-21-23-39(24-22-36)45-17-9-12-38-11-3-4-14-44(38)45/h3-33H,1-2H3
InChIKeyTYWLKLMZUQOXFA-UHFFFAOYSA-N
XLogP14.98
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.87
LogP ≤ 514.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4-dibenzofuran-4-ylphenyl)-2,4-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine 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

N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-methyl-4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 155119848
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)-2-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 155119854
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-phenylaniline
CID 162494606
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 126709628
3-N-(4-dibenzofuran-4-ylphenyl)-1-N,5-N-bis(4-naphthalen-1-ylphenyl)-1-N,5-N-diphenyl-3-N-(4-phenylphenyl)benzene-1,3,5-triamine
CID 139393698
N-[4-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 121299017
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-(6-methylnaphthalen-1-yl)phenyl]phenyl]-4-phenylaniline
CID 155119877
N-[4-(5-methylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzofuran-3-amine
CID 170289379
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-9-amine
CID 155119875
5-N,12-N-bis(4-dibenzofuran-4-ylphenyl)-5-N,12-N-bis(3-methylphenyl)tetracene-5,12-diamine
CID 58462008

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-2,4-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-2,4-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine (CID 155119937) is N-(4-dibenzofuran-4-ylphenyl)-2,4-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-2,4-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-2,4-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine is Cc1cc(C)c2ccccc2c1N(c1ccc(-c2ccc(-c3cccc4ccccc34)cc2)cc1)c1ccc(-c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-2,4-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine?
The InChIKey is TYWLKLMZUQOXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37NO/c1-34-33-35(2)51(48-16-6-5-13-43(34)48)53(42-31-27-40(28-32-42)46-18-10-19-49-47-15-7-8-20-50(47)54-52(46)49)41-29-25-37(26-30-41)36-21-23-39(24-22-36)45-17-9-12-38-11-3-4-14-44(38)45/h3-33H,1-2H3.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-2,4-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine?
N-(4-dibenzofuran-4-ylphenyl)-2,4-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine has a molecular weight of 691.87 g/mol, XLogP of 14.98, 6 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)-2,4-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 155119937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).