N-(3-dibenzothiophen-4-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-1-amine

C54H33NOS — CID 155304528

IUPACN-(3-dibenzothiophen-4-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-1-amine
SMILESc1cc(-c2cccc3c2sc2ccccc23)cc(N(c2c(-c3cccc4ccccc34)c3ccccc3c3ccccc23)c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C54H33NOS/c1-2-19-37-34(15-1)16-12-27-42(37)51-43-23-5-3-20-39(43)40-21-4-6-24-44(40)53(51)55(47-29-14-31-49-52(47)46-25-7-9-30-48(46)56-49)36-18-11-17-35(33-36)38-26-13-28-45-41-22-8-10-32-50(41)57-54(38)45/h1-33H
InChIKeyWJCRDPZEDJCLKH-UHFFFAOYSA-N
MW743.93 g/mol
LogP16.22
Rot. Bonds5

About N-(3-dibenzothiophen-4-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-1-amine

N-(3-dibenzothiophen-4-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-1-amine (PubChem CID 155304528) has the molecular formula C54H33NOS and a molecular weight of 743.93 g/mol. Its IUPAC name is N-(3-dibenzothiophen-4-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(3-dibenzothiophen-4-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-1-amine
PubChem CID155304528
Molecular FormulaC54H33NOS
Molecular Weight743.93 g/mol
Exact Mass743.23
IUPAC NameN-(3-dibenzothiophen-4-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-1-amine
SMILESc1cc(-c2cccc3c2sc2ccccc23)cc(N(c2c(-c3cccc4ccccc34)c3ccccc3c3ccccc23)c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C54H33NOS/c1-2-19-37-34(15-1)16-12-27-42(37)51-43-23-5-3-20-39(43)40-21-4-6-24-44(40)53(51)55(47-29-14-31-49-52(47)46-25-7-9-30-48(46)56-49)36-18-11-17-35(33-36)38-26-13-28-45-41-22-8-10-32-50(41)57-54(38)45/h1-33H
InChIKeyWJCRDPZEDJCLKH-UHFFFAOYSA-N
XLogP16.22
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.93
LogP ≤ 516.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-dibenzothiophen-4-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-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-(2-dibenzothiophen-4-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-2-amine
CID 155303513
N-(3-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-1-amine
CID 155624044
N-(3-dibenzofuran-1-ylphenyl)-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-2-naphthalen-1-ylaniline
CID 168766720
N-(4-dibenzofuran-1-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-ylaniline
CID 168767116
N-(3-dibenzofuran-1-ylphenyl)-3-(3-dibenzothiophen-4-ylphenyl)-N-(3-naphthalen-1-ylphenyl)aniline
CID 168767519
9-[6-[10-(N-dibenzofuran-4-yl-3-dibenzothiophen-4-ylanilino)phenanthren-9-yl]naphthalen-2-yl]-N-(4-dibenzothiophen-1-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-4-amine
CID 155305668
N-(3-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)dibenzofuran-1-amine
CID 165006539
N-(3-dibenzothiophen-4-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-2-amine
CID 168766762
N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-1-amine
CID 164955606
N-(4-dibenzofuran-1-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzothiophen-1-amine
CID 155303954
N-(3-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 168767493
N-(4-dibenzothiophen-4-ylphenyl)-10-naphthalen-1-yl-N-phenylphenanthren-9-amine
CID 155305485

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzothiophen-4-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-1-amine?
The IUPAC name of N-(3-dibenzothiophen-4-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-1-amine (CID 155304528) is N-(3-dibenzothiophen-4-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-1-amine.
What is the SMILES notation for N-(3-dibenzothiophen-4-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-1-amine?
The canonical SMILES for N-(3-dibenzothiophen-4-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-1-amine is c1cc(-c2cccc3c2sc2ccccc23)cc(N(c2c(-c3cccc4ccccc34)c3ccccc3c3ccccc23)c2cccc3oc4ccccc4c23)c1.
What is the InChIKey of N-(3-dibenzothiophen-4-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-1-amine?
The InChIKey is WJCRDPZEDJCLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33NOS/c1-2-19-37-34(15-1)16-12-27-42(37)51-43-23-5-3-20-39(43)40-21-4-6-24-44(40)53(51)55(47-29-14-31-49-52(47)46-25-7-9-30-48(46)56-49)36-18-11-17-35(33-36)38-26-13-28-45-41-22-8-10-32-50(41)57-54(38)45/h1-33H.
What are the key properties of N-(3-dibenzothiophen-4-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-1-amine?
N-(3-dibenzothiophen-4-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-1-amine has a molecular weight of 743.93 g/mol, XLogP of 16.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzothiophen-4-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-1-amine is sourced from PubChem (CID 155304528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).