2,10,17,25-tetrathiapentacyclo[24.4.1.14,8.111,16.119,23]tetratriaconta-1(30),4(34),5,7,11,13,15,19,21,23(32),26,28-dodecaene-31,33-dione

C30H24O2S4 — CID 3461270

IUPAC2,10,17,25-tetrathiapentacyclo[24.4.1.14,8.111,16.119,23]tetratriaconta-1(30),4(34),5,7,11,13,15,19,21,23(32),26,28-dodecaene-31,33-dione
SMILESO=c1c2ccccc1SCc1cccc(c1)CSc1ccccc(c1=O)SCc1cccc(c1)CS2
InChIInChI=1S/C30H24O2S4/c31-29-25-11-1-2-12-26(29)34-18-22-8-6-10-24(16-22)20-36-28-14-4-3-13-27(30(28)32)35-19-23-9-5-7-21(15-23)17-33-25/h1-16H,17-20H2
InChIKeyJNHXYAUUVYPHRC-UHFFFAOYSA-N
MW544.79 g/mol
LogP7.89
Rot. Bonds

About 2,10,17,25-tetrathiapentacyclo[24.4.1.14,8.111,16.119,23]tetratriaconta-1(30),4(34),5,7,11,13,15,19,21,23(32),26,28-dodecaene-31,33-dione

2,10,17,25-tetrathiapentacyclo[24.4.1.14,8.111,16.119,23]tetratriaconta-1(30),4(34),5,7,11,13,15,19,21,23(32),26,28-dodecaene-31,33-dione (PubChem CID 3461270) has the molecular formula C30H24O2S4 and a molecular weight of 544.79 g/mol. Its IUPAC name is 2,10,17,25-tetrathiapentacyclo[24.4.1.14,8.111,16.119,23]tetratriaconta-1(30),4(34),5,7,11,13,15,19,21,23(32),26,28-dodecaene-31,33-dione.

Molecular Properties

Compound Name2,10,17,25-tetrathiapentacyclo[24.4.1.14,8.111,16.119,23]tetratriaconta-1(30),4(34),5,7,11,13,15,19,21,23(32),26,28-dodecaene-31,33-dione
PubChem CID3461270
Molecular FormulaC30H24O2S4
Molecular Weight544.79 g/mol
Exact Mass544.07
IUPAC Name2,10,17,25-tetrathiapentacyclo[24.4.1.14,8.111,16.119,23]tetratriaconta-1(30),4(34),5,7,11,13,15,19,21,23(32),26,28-dodecaene-31,33-dione
SMILESO=c1c2ccccc1SCc1cccc(c1)CSc1ccccc(c1=O)SCc1cccc(c1)CS2
InChIInChI=1S/C30H24O2S4/c31-29-25-11-1-2-12-26(29)34-18-22-8-6-10-24(16-22)20-36-28-14-4-3-13-27(30(28)32)35-19-23-9-5-7-21(15-23)17-33-25/h1-16H,17-20H2
InChIKeyJNHXYAUUVYPHRC-UHFFFAOYSA-N
XLogP7.89
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.79
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,10,17,25-tetrathiapentacyclo[24.4.1.14,8.111,16.119,23]tetratriaconta-1(30),4(34),5,7,11,13,15,19,21,23(32),26,28-dodecaene-31,33-dione 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 2,10,17,25-tetrathiapentacyclo[24.4.1.14,8.111,16.119,23]tetratriaconta-1(30),4(34),5,7,11,13,15,19,21,23(32),26,28-dodecaene-31,33-dione?
The IUPAC name of 2,10,17,25-tetrathiapentacyclo[24.4.1.14,8.111,16.119,23]tetratriaconta-1(30),4(34),5,7,11,13,15,19,21,23(32),26,28-dodecaene-31,33-dione (CID 3461270) is 2,10,17,25-tetrathiapentacyclo[24.4.1.14,8.111,16.119,23]tetratriaconta-1(30),4(34),5,7,11,13,15,19,21,23(32),26,28-dodecaene-31,33-dione.
What is the SMILES notation for 2,10,17,25-tetrathiapentacyclo[24.4.1.14,8.111,16.119,23]tetratriaconta-1(30),4(34),5,7,11,13,15,19,21,23(32),26,28-dodecaene-31,33-dione?
The canonical SMILES for 2,10,17,25-tetrathiapentacyclo[24.4.1.14,8.111,16.119,23]tetratriaconta-1(30),4(34),5,7,11,13,15,19,21,23(32),26,28-dodecaene-31,33-dione is O=c1c2ccccc1SCc1cccc(c1)CSc1ccccc(c1=O)SCc1cccc(c1)CS2.
What is the InChIKey of 2,10,17,25-tetrathiapentacyclo[24.4.1.14,8.111,16.119,23]tetratriaconta-1(30),4(34),5,7,11,13,15,19,21,23(32),26,28-dodecaene-31,33-dione?
The InChIKey is JNHXYAUUVYPHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24O2S4/c31-29-25-11-1-2-12-26(29)34-18-22-8-6-10-24(16-22)20-36-28-14-4-3-13-27(30(28)32)35-19-23-9-5-7-21(15-23)17-33-25/h1-16H,17-20H2.
What are the key properties of 2,10,17,25-tetrathiapentacyclo[24.4.1.14,8.111,16.119,23]tetratriaconta-1(30),4(34),5,7,11,13,15,19,21,23(32),26,28-dodecaene-31,33-dione?
2,10,17,25-tetrathiapentacyclo[24.4.1.14,8.111,16.119,23]tetratriaconta-1(30),4(34),5,7,11,13,15,19,21,23(32),26,28-dodecaene-31,33-dione has a molecular weight of 544.79 g/mol, XLogP of 7.89, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10,17,25-tetrathiapentacyclo[24.4.1.14,8.111,16.119,23]tetratriaconta-1(30),4(34),5,7,11,13,15,19,21,23(32),26,28-dodecaene-31,33-dione is sourced from PubChem (CID 3461270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).