4-triphenylen-2-ylsulfonyldibenzothiophene

C30H18O2S2 — CID 163774217

IUPAC4-triphenylen-2-ylsulfonyldibenzothiophene
SMILESO=S(=O)(c1ccc2c3ccccc3c3ccccc3c2c1)c1cccc2c1sc1ccccc12
InChIInChI=1S/C30H18O2S2/c31-34(32,29-15-7-13-26-25-12-5-6-14-28(25)33-30(26)29)19-16-17-24-22-10-2-1-8-20(22)21-9-3-4-11-23(21)27(24)18-19/h1-18H
InChIKeyMIZZUJKACGMFLO-UHFFFAOYSA-N
MW474.61 g/mol
LogP8.35
Rot. Bonds2

About 4-triphenylen-2-ylsulfonyldibenzothiophene

4-triphenylen-2-ylsulfonyldibenzothiophene (PubChem CID 163774217) has the molecular formula C30H18O2S2 and a molecular weight of 474.61 g/mol. Its IUPAC name is 4-triphenylen-2-ylsulfonyldibenzothiophene.

Molecular Properties

Compound Name4-triphenylen-2-ylsulfonyldibenzothiophene
PubChem CID163774217
Molecular FormulaC30H18O2S2
Molecular Weight474.61 g/mol
Exact Mass474.07
IUPAC Name4-triphenylen-2-ylsulfonyldibenzothiophene
SMILESO=S(=O)(c1ccc2c3ccccc3c3ccccc3c2c1)c1cccc2c1sc1ccccc12
InChIInChI=1S/C30H18O2S2/c31-34(32,29-15-7-13-26-25-12-5-6-14-28(25)33-30(26)29)19-16-17-24-22-10-2-1-8-20(22)21-9-3-4-11-23(21)27(24)18-19/h1-18H
InChIKeyMIZZUJKACGMFLO-UHFFFAOYSA-N
XLogP8.35
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.61
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-triphenylen-2-ylsulfonyldibenzothiophene 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

dibenzothiophene-4-sulfonamide
CID 150056476
tetra(dibenzothiophen-4-yl)-λ4-sulfane
CID 134590724
4-(3-dibenzothiophen-4-ylphenyl)-6-triphenylen-2-yldibenzothiophene
CID 140940381
4-triphenylen-2-yliodanuidyldibenzothiophene
CID 147845065
4-[3-[3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]dibenzothiophene
CID 177115886
2-(7-dibenzothiophen-4-yltriphenylen-2-yl)dibenzothiophene
CID 155401257
19-(3-triphenylen-2-ylphenyl)-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene
CID 90337097
3,26-dithiaheptacyclo[13.11.1.12,10.04,9.019,27.020,25.014,28]octacosa-1,4,6,8,10(28),11,13,15,17,19(27),20,22,24-tridecaene
CID 149009096
4-(15-dibenzothiophen-4-yl-3-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene
CID 134428975
[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[8-[dibenzothiophen-4-yl(diphenyl)-λ4-sulfanyl]dibenzothiophen-2-yl]-diphenyl-λ4-sulfane
CID 130411696
N,N-diphenyl-28-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.027,35.029,34]heptatriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27(35),29,31,33,36-octadecaen-5-amine
CID 130464973
10-bromo-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaene
CID 126720620

Frequently Asked Questions

What is the IUPAC name of 4-triphenylen-2-ylsulfonyldibenzothiophene?
The IUPAC name of 4-triphenylen-2-ylsulfonyldibenzothiophene (CID 163774217) is 4-triphenylen-2-ylsulfonyldibenzothiophene.
What is the SMILES notation for 4-triphenylen-2-ylsulfonyldibenzothiophene?
The canonical SMILES for 4-triphenylen-2-ylsulfonyldibenzothiophene is O=S(=O)(c1ccc2c3ccccc3c3ccccc3c2c1)c1cccc2c1sc1ccccc12.
What is the InChIKey of 4-triphenylen-2-ylsulfonyldibenzothiophene?
The InChIKey is MIZZUJKACGMFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18O2S2/c31-34(32,29-15-7-13-26-25-12-5-6-14-28(25)33-30(26)29)19-16-17-24-22-10-2-1-8-20(22)21-9-3-4-11-23(21)27(24)18-19/h1-18H.
What are the key properties of 4-triphenylen-2-ylsulfonyldibenzothiophene?
4-triphenylen-2-ylsulfonyldibenzothiophene has a molecular weight of 474.61 g/mol, XLogP of 8.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-triphenylen-2-ylsulfonyldibenzothiophene is sourced from PubChem (CID 163774217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).