5,16-dimethyl-8,13-dithiahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene

C24H16S2 — CID 70923107

IUPAC5,16-dimethyl-8,13-dithiahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene
SMILESCc1ccc2c(c1)Sc1ccc3c4c(ccc-2c14)-c1ccc(C)cc1S3
InChIInChI=1S/C24H16S2/c1-13-3-5-15-17-7-8-18-16-6-4-14(2)12-22(16)26-20-10-9-19(23(17)24(18)20)25-21(15)11-13/h3-12H,1-2H3
InChIKeyDNOZCHVNKNPHSM-UHFFFAOYSA-N
MW368.53 g/mol
LogP7.72
Rot. Bonds

About 5,16-dimethyl-8,13-dithiahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene

5,16-dimethyl-8,13-dithiahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene (PubChem CID 70923107) has the molecular formula C24H16S2 and a molecular weight of 368.53 g/mol. Its IUPAC name is 5,16-dimethyl-8,13-dithiahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene.

Molecular Properties

Compound Name5,16-dimethyl-8,13-dithiahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene
PubChem CID70923107
Molecular FormulaC24H16S2
Molecular Weight368.53 g/mol
Exact Mass368.07
IUPAC Name5,16-dimethyl-8,13-dithiahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene
SMILESCc1ccc2c(c1)Sc1ccc3c4c(ccc-2c14)-c1ccc(C)cc1S3
InChIInChI=1S/C24H16S2/c1-13-3-5-15-17-7-8-18-16-6-4-14(2)12-22(16)26-20-10-9-19(23(17)24(18)20)25-21(15)11-13/h3-12H,1-2H3
InChIKeyDNOZCHVNKNPHSM-UHFFFAOYSA-N
XLogP7.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.53
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5,16-dimethyl-8,13-dithiahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene 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 5,16-dimethyl-8,13-dithiahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene?
The IUPAC name of 5,16-dimethyl-8,13-dithiahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene (CID 70923107) is 5,16-dimethyl-8,13-dithiahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene.
What is the SMILES notation for 5,16-dimethyl-8,13-dithiahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene?
The canonical SMILES for 5,16-dimethyl-8,13-dithiahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene is Cc1ccc2c(c1)Sc1ccc3c4c(ccc-2c14)-c1ccc(C)cc1S3.
What is the InChIKey of 5,16-dimethyl-8,13-dithiahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene?
The InChIKey is DNOZCHVNKNPHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16S2/c1-13-3-5-15-17-7-8-18-16-6-4-14(2)12-22(16)26-20-10-9-19(23(17)24(18)20)25-21(15)11-13/h3-12H,1-2H3.
What are the key properties of 5,16-dimethyl-8,13-dithiahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene?
5,16-dimethyl-8,13-dithiahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene has a molecular weight of 368.53 g/mol, XLogP of 7.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,16-dimethyl-8,13-dithiahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene is sourced from PubChem (CID 70923107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).