7-methyl-8,20-dithiahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaene

C23H14S2 — CID 58410706

IUPAC7-methyl-8,20-dithiahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaene
SMILESCc1cc2ccc3c4ccc5c(ccc6ccsc65)c4ccc3c2s1
InChIInChI=1S/C23H14S2/c1-13-12-15-3-5-19-17-6-8-20-18(4-2-14-10-11-24-22(14)20)16(17)7-9-21(19)23(15)25-13/h2-12H,1H3
InChIKeySSCUOQRWSKRDOG-UHFFFAOYSA-N
MW354.50 g/mol
LogP7.88
Rot. Bonds

About 7-methyl-8,20-dithiahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaene

7-methyl-8,20-dithiahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaene (PubChem CID 58410706) has the molecular formula C23H14S2 and a molecular weight of 354.50 g/mol. Its IUPAC name is 7-methyl-8,20-dithiahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaene.

Molecular Properties

Compound Name7-methyl-8,20-dithiahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaene
PubChem CID58410706
Molecular FormulaC23H14S2
Molecular Weight354.50 g/mol
Exact Mass354.05
IUPAC Name7-methyl-8,20-dithiahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaene
SMILESCc1cc2ccc3c4ccc5c(ccc6ccsc65)c4ccc3c2s1
InChIInChI=1S/C23H14S2/c1-13-12-15-3-5-19-17-6-8-20-18(4-2-14-10-11-24-22(14)20)16(17)7-9-21(19)23(15)25-13/h2-12H,1H3
InChIKeySSCUOQRWSKRDOG-UHFFFAOYSA-N
XLogP7.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.50
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-methyl-8,20-dithiahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-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 7-methyl-8,20-dithiahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaene?
The IUPAC name of 7-methyl-8,20-dithiahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaene (CID 58410706) is 7-methyl-8,20-dithiahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaene.
What is the SMILES notation for 7-methyl-8,20-dithiahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaene?
The canonical SMILES for 7-methyl-8,20-dithiahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaene is Cc1cc2ccc3c4ccc5c(ccc6ccsc65)c4ccc3c2s1.
What is the InChIKey of 7-methyl-8,20-dithiahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaene?
The InChIKey is SSCUOQRWSKRDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14S2/c1-13-12-15-3-5-19-17-6-8-20-18(4-2-14-10-11-24-22(14)20)16(17)7-9-21(19)23(15)25-13/h2-12H,1H3.
What are the key properties of 7-methyl-8,20-dithiahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaene?
7-methyl-8,20-dithiahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaene has a molecular weight of 354.50 g/mol, XLogP of 7.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-8,20-dithiahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaene is sourced from PubChem (CID 58410706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).