N-dibenzothiophen-3-yl-6-iododibenzothiophen-3-amine

C24H14INS2 — CID 155205215

IUPACN-dibenzothiophen-3-yl-6-iododibenzothiophen-3-amine
SMILESIc1cccc2c1sc1cc(Nc3ccc4c(c3)sc3ccccc34)ccc12
InChIInChI=1S/C24H14INS2/c25-20-6-3-5-19-18-11-9-15(13-23(18)28-24(19)20)26-14-8-10-17-16-4-1-2-7-21(16)27-22(17)12-14/h1-13,26H
InChIKeyUVEYNEYOEQPDTN-UHFFFAOYSA-N
MW507.42 g/mol
LogP8.77
Rot. Bonds2

About N-dibenzothiophen-3-yl-6-iododibenzothiophen-3-amine

N-dibenzothiophen-3-yl-6-iododibenzothiophen-3-amine (PubChem CID 155205215) has the molecular formula C24H14INS2 and a molecular weight of 507.42 g/mol. Its IUPAC name is N-dibenzothiophen-3-yl-6-iododibenzothiophen-3-amine.

Molecular Properties

Compound NameN-dibenzothiophen-3-yl-6-iododibenzothiophen-3-amine
PubChem CID155205215
Molecular FormulaC24H14INS2
Molecular Weight507.42 g/mol
Exact Mass506.96
IUPAC NameN-dibenzothiophen-3-yl-6-iododibenzothiophen-3-amine
SMILESIc1cccc2c1sc1cc(Nc3ccc4c(c3)sc3ccccc34)ccc12
InChIInChI=1S/C24H14INS2/c25-20-6-3-5-19-18-11-9-15(13-23(18)28-24(19)20)26-14-8-10-17-16-4-1-2-7-21(16)27-22(17)12-14/h1-13,26H
InChIKeyUVEYNEYOEQPDTN-UHFFFAOYSA-N
XLogP8.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.42
LogP ≤ 58.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-dibenzothiophen-3-yl-6-iododibenzothiophen-3-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-dibenzothiophen-3-ylpyridin-4-amine
CID 137471578
N-phenanthren-2-yldibenzothiophen-3-amine
CID 166647228
1-N-dibenzothiophen-2-yl-3-N,3-N-diphenylbenzene-1,3-diamine
CID 122666295
3-iododibenzothiophene
CID 86150547
N-methyldibenzothiophen-2-amine
CID 138617905
N-[4-(1,3-benzothiazol-2-yl)phenyl]dibenzothiophen-3-amine
CID 166918168
8,9-diiodo-5,15,25-trithiaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2,4(12),6,8,10,13,17,19,21,23,26-dodecaene
CID 166787448
N-(4-naphthalen-1-ylphenyl)dibenzothiophen-2-amine;N-(3-phenylphenyl)dibenzothiophen-2-amine;N-(4-phenylphenyl)dibenzothiophen-2-amine;N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 164973575
8-N-dibenzothiophen-3-yl-2-N,8-N-diphenyldibenzofuran-2,8-diamine
CID 129194325
N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]dibenzothiophen-3-amine
CID 144963579
4-iodo-2-methyldibenzothiophene
CID 134396873
N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 147227535

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-3-yl-6-iododibenzothiophen-3-amine?
The IUPAC name of N-dibenzothiophen-3-yl-6-iododibenzothiophen-3-amine (CID 155205215) is N-dibenzothiophen-3-yl-6-iododibenzothiophen-3-amine.
What is the SMILES notation for N-dibenzothiophen-3-yl-6-iododibenzothiophen-3-amine?
The canonical SMILES for N-dibenzothiophen-3-yl-6-iododibenzothiophen-3-amine is Ic1cccc2c1sc1cc(Nc3ccc4c(c3)sc3ccccc34)ccc12.
What is the InChIKey of N-dibenzothiophen-3-yl-6-iododibenzothiophen-3-amine?
The InChIKey is UVEYNEYOEQPDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14INS2/c25-20-6-3-5-19-18-11-9-15(13-23(18)28-24(19)20)26-14-8-10-17-16-4-1-2-7-21(16)27-22(17)12-14/h1-13,26H.
What are the key properties of N-dibenzothiophen-3-yl-6-iododibenzothiophen-3-amine?
N-dibenzothiophen-3-yl-6-iododibenzothiophen-3-amine has a molecular weight of 507.42 g/mol, XLogP of 8.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-3-yl-6-iododibenzothiophen-3-amine is sourced from PubChem (CID 155205215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).