4-(4-aminophenyl)-2,3,5,6-tetra(dibenzothiophen-4-yl)aniline

C60H36N2S4 — CID 87350146

IUPAC4-(4-aminophenyl)-2,3,5,6-tetra(dibenzothiophen-4-yl)aniline
SMILESNc1ccc(-c2c(-c3cccc4c3sc3ccccc34)c(-c3cccc4c3sc3ccccc34)c(N)c(-c3cccc4c3sc3ccccc34)c2-c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C60H36N2S4/c61-34-31-29-33(30-32-34)51-52(43-21-9-17-39-35-13-1-5-25-47(35)63-57(39)43)54(45-23-11-19-41-37-15-3-7-27-49(37)65-59(41)45)56(62)55(46-24-12-20-42-38-16-4-8-28-50(38)66-60(42)46)53(51)44-22-10-18-40-36-14-2-6-26-48(36)64-58(40)44/h1-32H,61-62H2
InChIKeyDRVHCKIBFYGWJX-UHFFFAOYSA-N
MW913.23 g/mol
LogP18.66
Rot. Bonds5

About 4-(4-aminophenyl)-2,3,5,6-tetra(dibenzothiophen-4-yl)aniline

4-(4-aminophenyl)-2,3,5,6-tetra(dibenzothiophen-4-yl)aniline (PubChem CID 87350146) has the molecular formula C60H36N2S4 and a molecular weight of 913.23 g/mol. Its IUPAC name is 4-(4-aminophenyl)-2,3,5,6-tetra(dibenzothiophen-4-yl)aniline.

Molecular Properties

Compound Name4-(4-aminophenyl)-2,3,5,6-tetra(dibenzothiophen-4-yl)aniline
PubChem CID87350146
Molecular FormulaC60H36N2S4
Molecular Weight913.23 g/mol
Exact Mass912.18
IUPAC Name4-(4-aminophenyl)-2,3,5,6-tetra(dibenzothiophen-4-yl)aniline
SMILESNc1ccc(-c2c(-c3cccc4c3sc3ccccc34)c(-c3cccc4c3sc3ccccc34)c(N)c(-c3cccc4c3sc3ccccc34)c2-c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C60H36N2S4/c61-34-31-29-33(30-32-34)51-52(43-21-9-17-39-35-13-1-5-25-47(35)63-57(39)43)54(45-23-11-19-41-37-15-3-7-27-49(37)65-59(41)45)56(62)55(46-24-12-20-42-38-16-4-8-28-50(38)66-60(42)46)53(51)44-22-10-18-40-36-14-2-6-26-48(36)64-58(40)44/h1-32H,61-62H2
InChIKeyDRVHCKIBFYGWJX-UHFFFAOYSA-N
XLogP18.66
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500913.23
LogP ≤ 518.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(4-aminophenyl)-2,3,5,6-tetra(dibenzothiophen-4-yl)aniline 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

4,6-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene
CID 118439385
2-dibenzothiophen-4-ylaniline
CID 58050240
4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
4-[8-dibenzothiophen-4-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzothiophene
CID 155333209
4-(10-dibenzothiophen-4-yl-2-phenylanthracen-9-yl)dibenzothiophene
CID 58323249
4-(4-methylphenyl)dibenzothiophene;methylphosphane
CID 142353145
4-(9,10-diphenylanthracen-1-yl)dibenzothiophene
CID 58323324
4-[10-[4-(2-naphthalen-2-ylphenyl)phenyl]anthracen-9-yl]dibenzothiophene
CID 174273152
4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;ethane
CID 144600989
4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378
4-dibenzothiophen-4-yl-N,N-bis(4-dibenzothiophen-4-ylphenyl)aniline
CID 59022060
2-dibenzothiophen-4-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 168831660

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-2,3,5,6-tetra(dibenzothiophen-4-yl)aniline?
The IUPAC name of 4-(4-aminophenyl)-2,3,5,6-tetra(dibenzothiophen-4-yl)aniline (CID 87350146) is 4-(4-aminophenyl)-2,3,5,6-tetra(dibenzothiophen-4-yl)aniline.
What is the SMILES notation for 4-(4-aminophenyl)-2,3,5,6-tetra(dibenzothiophen-4-yl)aniline?
The canonical SMILES for 4-(4-aminophenyl)-2,3,5,6-tetra(dibenzothiophen-4-yl)aniline is Nc1ccc(-c2c(-c3cccc4c3sc3ccccc34)c(-c3cccc4c3sc3ccccc34)c(N)c(-c3cccc4c3sc3ccccc34)c2-c2cccc3c2sc2ccccc23)cc1.
What is the InChIKey of 4-(4-aminophenyl)-2,3,5,6-tetra(dibenzothiophen-4-yl)aniline?
The InChIKey is DRVHCKIBFYGWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N2S4/c61-34-31-29-33(30-32-34)51-52(43-21-9-17-39-35-13-1-5-25-47(35)63-57(39)43)54(45-23-11-19-41-37-15-3-7-27-49(37)65-59(41)45)56(62)55(46-24-12-20-42-38-16-4-8-28-50(38)66-60(42)46)53(51)44-22-10-18-40-36-14-2-6-26-48(36)64-58(40)44/h1-32H,61-62H2.
What are the key properties of 4-(4-aminophenyl)-2,3,5,6-tetra(dibenzothiophen-4-yl)aniline?
4-(4-aminophenyl)-2,3,5,6-tetra(dibenzothiophen-4-yl)aniline has a molecular weight of 913.23 g/mol, XLogP of 18.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-2,3,5,6-tetra(dibenzothiophen-4-yl)aniline is sourced from PubChem (CID 87350146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).