8,10-diphenyl-3,9,15-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2(6),4,7,10,13-hexaene-4,14-dicarbaldehyde

C26H14O2S3 — CID 15339411

IUPAC8,10-diphenyl-3,9,15-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2(6),4,7,10,13-hexaene-4,14-dicarbaldehyde
SMILESO=Cc1cc2c(s1)c1sc(C=O)cc1c1c(-c3ccccc3)sc(-c3ccccc3)c21
InChIInChI=1S/C26H14O2S3/c27-13-17-11-19-21-22(20-12-18(14-28)30-26(20)25(19)29-17)24(16-9-5-2-6-10-16)31-23(21)15-7-3-1-4-8-15/h1-14H
InChIKeyAWNUHIYKKGBDMM-UHFFFAOYSA-N
MW454.60 g/mol
LogP8.29
Rot. Bonds4

About 8,10-diphenyl-3,9,15-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2(6),4,7,10,13-hexaene-4,14-dicarbaldehyde

8,10-diphenyl-3,9,15-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2(6),4,7,10,13-hexaene-4,14-dicarbaldehyde (PubChem CID 15339411) has the molecular formula C26H14O2S3 and a molecular weight of 454.60 g/mol. Its IUPAC name is 8,10-diphenyl-3,9,15-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2(6),4,7,10,13-hexaene-4,14-dicarbaldehyde.

Molecular Properties

Compound Name8,10-diphenyl-3,9,15-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2(6),4,7,10,13-hexaene-4,14-dicarbaldehyde
PubChem CID15339411
Molecular FormulaC26H14O2S3
Molecular Weight454.60 g/mol
Exact Mass454.02
IUPAC Name8,10-diphenyl-3,9,15-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2(6),4,7,10,13-hexaene-4,14-dicarbaldehyde
SMILESO=Cc1cc2c(s1)c1sc(C=O)cc1c1c(-c3ccccc3)sc(-c3ccccc3)c21
InChIInChI=1S/C26H14O2S3/c27-13-17-11-19-21-22(20-12-18(14-28)30-26(20)25(19)29-17)24(16-9-5-2-6-10-16)31-23(21)15-7-3-1-4-8-15/h1-14H
InChIKeyAWNUHIYKKGBDMM-UHFFFAOYSA-N
XLogP8.29
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.60
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8,10-diphenyl-3,9,15-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2(6),4,7,10,13-hexaene-4,14-dicarbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8,10-diphenyl-3,9,15-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2(6),4,7,10,13-hexaene-4,14-dicarbaldehyde?
The IUPAC name of 8,10-diphenyl-3,9,15-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2(6),4,7,10,13-hexaene-4,14-dicarbaldehyde (CID 15339411) is 8,10-diphenyl-3,9,15-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2(6),4,7,10,13-hexaene-4,14-dicarbaldehyde.
What is the SMILES notation for 8,10-diphenyl-3,9,15-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2(6),4,7,10,13-hexaene-4,14-dicarbaldehyde?
The canonical SMILES for 8,10-diphenyl-3,9,15-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2(6),4,7,10,13-hexaene-4,14-dicarbaldehyde is O=Cc1cc2c(s1)c1sc(C=O)cc1c1c(-c3ccccc3)sc(-c3ccccc3)c21.
What is the InChIKey of 8,10-diphenyl-3,9,15-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2(6),4,7,10,13-hexaene-4,14-dicarbaldehyde?
The InChIKey is AWNUHIYKKGBDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14O2S3/c27-13-17-11-19-21-22(20-12-18(14-28)30-26(20)25(19)29-17)24(16-9-5-2-6-10-16)31-23(21)15-7-3-1-4-8-15/h1-14H.
What are the key properties of 8,10-diphenyl-3,9,15-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2(6),4,7,10,13-hexaene-4,14-dicarbaldehyde?
8,10-diphenyl-3,9,15-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2(6),4,7,10,13-hexaene-4,14-dicarbaldehyde has a molecular weight of 454.60 g/mol, XLogP of 8.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10-diphenyl-3,9,15-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2(6),4,7,10,13-hexaene-4,14-dicarbaldehyde is sourced from PubChem (CID 15339411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).