2,9,11,18-tetramethyl-6,15-bis(2-methylthieno[3,2-b]thiophen-5-yl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaene

C34H26S6 — CID 58224242

About 2,9,11,18-tetramethyl-6,15-bis(2-methylthieno[3,2-b]thiophen-5-yl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaene

2,9,11,18-tetramethyl-6,15-bis(2-methylthieno[3,2-b]thiophen-5-yl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaene (PubChem CID 58224242) has the molecular formula C34H26S6 and a molecular weight of 626.98 g/mol. Its IUPAC name is 2,9,11,18-tetramethyl-6,15-bis(2-methylthieno[3,2-b]thiophen-5-yl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaene.

Molecular Properties

• Compound Name: 2,9,11,18-tetramethyl-6,15-bis(2-methylthieno[3,2-b]thiophen-5-yl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaene
• PubChem CID: 58224242
• Molecular Formula: C34H26S6
• Molecular Weight: 626.98 g/mol
• Exact Mass: 626.04
• IUPAC Name: 2,9,11,18-tetramethyl-6,15-bis(2-methylthieno[3,2-b]thiophen-5-yl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaene
• SMILES: Cc1cc2sc(-c3cc4c(s3)-c3c(C)c5c(c(C)c3C4C)-c3sc(-c4cc6sc(C)cc6s4)cc3C5C)cc2s1
• InChI: InChI=1S/C34H26S6/c1-13-7-21-25(35-13)11-27(37-21)23-9-19-15(3)29-18(6)32-30(17(5)31(29)33(19)39-23)16(4)20-10-24(40-34(20)32)28-12-26-22(38-28)8-14(2)36-26/h7-12,15-16H,1-6H3
• InChIKey: USKATFZAMMQLOW-UHFFFAOYSA-N
• XLogP: 13.19
• TPSA: 0.00 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	626.98
LogP ≤ 5	13.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2,9,11,18-tetramethyl-6,15-bis(2-methylthieno[3,2-b]thiophen-5-yl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaene?

The IUPAC name of 2,9,11,18-tetramethyl-6,15-bis(2-methylthieno[3,2-b]thiophen-5-yl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaene (CID 58224242) is 2,9,11,18-tetramethyl-6,15-bis(2-methylthieno[3,2-b]thiophen-5-yl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaene.

What is the SMILES notation for 2,9,11,18-tetramethyl-6,15-bis(2-methylthieno[3,2-b]thiophen-5-yl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaene?

The canonical SMILES for 2,9,11,18-tetramethyl-6,15-bis(2-methylthieno[3,2-b]thiophen-5-yl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaene is Cc1cc2sc(-c3cc4c(s3)-c3c(C)c5c(c(C)c3C4C)-c3sc(-c4cc6sc(C)cc6s4)cc3C5C)cc2s1.

What is the InChIKey of 2,9,11,18-tetramethyl-6,15-bis(2-methylthieno[3,2-b]thiophen-5-yl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaene?

The InChIKey is USKATFZAMMQLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26S6/c1-13-7-21-25(35-13)11-27(37-21)23-9-19-15(3)29-18(6)32-30(17(5)31(29)33(19)39-23)16(4)20-10-24(40-34(20)32)28-12-26-22(38-28)8-14(2)36-26/h7-12,15-16H,1-6H3.

What are the key properties of 2,9,11,18-tetramethyl-6,15-bis(2-methylthieno[3,2-b]thiophen-5-yl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaene?

2,9,11,18-tetramethyl-6,15-bis(2-methylthieno[3,2-b]thiophen-5-yl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaene has a molecular weight of 626.98 g/mol, XLogP of 13.19, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,9,11,18-tetramethyl-6,15-bis(2-methylthieno[3,2-b]thiophen-5-yl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaene is sourced from PubChem (CID 58224242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).