N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)dibenzothiophen-4-amine

C48H29NO2S — CID 164955400

IUPACN-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)dibenzothiophen-4-amine
SMILESc1cc(-c2cccc3c2oc2ccccc23)cc(N(c2ccc(-c3cccc4oc5ccccc5c34)cc2)c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C48H29NO2S/c1-4-21-42-36(13-1)38-18-8-17-35(47(38)51-42)31-11-7-12-33(29-31)49(41-20-9-19-39-37-14-3-6-24-45(37)52-48(39)41)32-27-25-30(26-28-32)34-16-10-23-44-46(34)40-15-2-5-22-43(40)50-44/h1-29H
InChIKeyNJILRVVJNZVMCN-UHFFFAOYSA-N
MW683.83 g/mol
LogP14.66
Rot. Bonds5

About N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)dibenzothiophen-4-amine

N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)dibenzothiophen-4-amine (PubChem CID 164955400) has the molecular formula C48H29NO2S and a molecular weight of 683.83 g/mol. Its IUPAC name is N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)dibenzothiophen-4-amine
PubChem CID164955400
Molecular FormulaC48H29NO2S
Molecular Weight683.83 g/mol
Exact Mass683.19
IUPAC NameN-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)dibenzothiophen-4-amine
SMILESc1cc(-c2cccc3c2oc2ccccc23)cc(N(c2ccc(-c3cccc4oc5ccccc5c34)cc2)c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C48H29NO2S/c1-4-21-42-36(13-1)38-18-8-17-35(47(38)51-42)31-11-7-12-33(29-31)49(41-20-9-19-39-37-14-3-6-24-45(37)52-48(39)41)32-27-25-30(26-28-32)34-16-10-23-44-46(34)40-15-2-5-22-43(40)50-44/h1-29H
InChIKeyNJILRVVJNZVMCN-UHFFFAOYSA-N
XLogP14.66
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.83
LogP ≤ 514.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)dibenzothiophen-4-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-(3-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)dibenzofuran-1-amine
CID 165006539
N-(4-dibenzofuran-1-ylphenyl)-N-dibenzothiophen-4-yl-6-phenyldibenzofuran-4-amine
CID 167397291
N-(3-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-4-amine
CID 164987719
N-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168788439
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzothiophen-4-amine
CID 164972461
N-(3-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine
CID 170676836
N-[3-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 177084663
N-(4-dibenzofuran-1-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-ylaniline
CID 168767116
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501986
N-(4-dibenzofuran-1-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168789320
N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-1-amine
CID 164955606
N-[3-[4-(3-oxa-20-thiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 177084667

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)dibenzothiophen-4-amine?
The IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)dibenzothiophen-4-amine (CID 164955400) is N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)dibenzothiophen-4-amine.
What is the SMILES notation for N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)dibenzothiophen-4-amine?
The canonical SMILES for N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)dibenzothiophen-4-amine is c1cc(-c2cccc3c2oc2ccccc23)cc(N(c2ccc(-c3cccc4oc5ccccc5c34)cc2)c2cccc3c2sc2ccccc23)c1.
What is the InChIKey of N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)dibenzothiophen-4-amine?
The InChIKey is NJILRVVJNZVMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29NO2S/c1-4-21-42-36(13-1)38-18-8-17-35(47(38)51-42)31-11-7-12-33(29-31)49(41-20-9-19-39-37-14-3-6-24-45(37)52-48(39)41)32-27-25-30(26-28-32)34-16-10-23-44-46(34)40-15-2-5-22-43(40)50-44/h1-29H.
What are the key properties of N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)dibenzothiophen-4-amine?
N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)dibenzothiophen-4-amine has a molecular weight of 683.83 g/mol, XLogP of 14.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)dibenzothiophen-4-amine is sourced from PubChem (CID 164955400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).