6-phenyldibenzothiophen-1-amine

C18H13NS — CID 154950359

IUPAC6-phenyldibenzothiophen-1-amine
SMILESNc1cccc2sc3c(-c4ccccc4)cccc3c12
InChIInChI=1S/C18H13NS/c19-15-10-5-11-16-17(15)14-9-4-8-13(18(14)20-16)12-6-2-1-3-7-12/h1-11H,19H2
InChIKeyFIFNMGQMKCBUOO-UHFFFAOYSA-N
MW275.38 g/mol
LogP5.30
Rot. Bonds1

About 6-phenyldibenzothiophen-1-amine

6-phenyldibenzothiophen-1-amine (PubChem CID 154950359) has the molecular formula C18H13NS and a molecular weight of 275.38 g/mol. Its IUPAC name is 6-phenyldibenzothiophen-1-amine.

Molecular Properties

Compound Name6-phenyldibenzothiophen-1-amine
PubChem CID154950359
Molecular FormulaC18H13NS
Molecular Weight275.38 g/mol
Exact Mass275.08
IUPAC Name6-phenyldibenzothiophen-1-amine
SMILESNc1cccc2sc3c(-c4ccccc4)cccc3c12
InChIInChI=1S/C18H13NS/c19-15-10-5-11-16-17(15)14-9-4-8-13(18(14)20-16)12-6-2-1-3-7-12/h1-11H,19H2
InChIKeyFIFNMGQMKCBUOO-UHFFFAOYSA-N
XLogP5.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.38
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-phenyldibenzothiophen-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

4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
4-phenylthioxanthene-9-thione
CID 175479915
2-dibenzothiophen-4-ylaniline
CID 58050240
6-chloro-1-(2-phenylphenyl)dibenzothiophene
CID 176630481
8-phenyl-3,11,19-trithiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
CID 66661576
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90263900
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)aniline
CID 147438936
1-phenyldibenzothiophene;hydrobromide
CID 174679709
4,6-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene
CID 118439385
N-[4-(9,14-dithiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 153300486
1,4-diphenyldibenzothiophene
CID 145331773
4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 59022081

Frequently Asked Questions

What is the IUPAC name of 6-phenyldibenzothiophen-1-amine?
The IUPAC name of 6-phenyldibenzothiophen-1-amine (CID 154950359) is 6-phenyldibenzothiophen-1-amine.
What is the SMILES notation for 6-phenyldibenzothiophen-1-amine?
The canonical SMILES for 6-phenyldibenzothiophen-1-amine is Nc1cccc2sc3c(-c4ccccc4)cccc3c12.
What is the InChIKey of 6-phenyldibenzothiophen-1-amine?
The InChIKey is FIFNMGQMKCBUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NS/c19-15-10-5-11-16-17(15)14-9-4-8-13(18(14)20-16)12-6-2-1-3-7-12/h1-11H,19H2.
What are the key properties of 6-phenyldibenzothiophen-1-amine?
6-phenyldibenzothiophen-1-amine has a molecular weight of 275.38 g/mol, XLogP of 5.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyldibenzothiophen-1-amine is sourced from PubChem (CID 154950359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).