bis(8-(2,2-dimethylpropyl)-1-[8-[3-[8-(2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridin-1-yl]benzene-2-id-1-yl]-1H-naphthalen-1-id-2-yl]-[1]benzothiolo[2,3-c]pyridine);2-(2,2-dimethylpropyl)-7-[8-[3-[2-(2,2-dimethylpropyl)thieno[2,3-c]pyridin-7-yl]benzene-2-id-1-yl]-1H-naphthalen-1-id-2-yl]thieno[2,3-c]pyridine;6-(2,2-dimethylpropyl)-4-[8-[3-[6-(2,2-dimethylpropyl)thieno[3,2-d]pyrimidin-4-yl]benzene-2-id-1-yl]-1H-naphthalen-1-id-2-yl]thieno[3,2-d]pyrimidine;tetrakis(platinum(2+))

C174H150N10Pt4S8 — CID 157430846

About bis(8-(2,2-dimethylpropyl)-1-[8-[3-[8-(2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridin-1-yl]benzene-2-id-1-yl]-1H-naphthalen-1-id-2-yl]-[1]benzothiolo[2,3-c]pyridine);2-(2,2-dimethylpropyl)-7-[8-[3-[2-(2,2-dimethylpropyl)thieno[2,3-c]pyridin-7-yl]benzene-2-id-1-yl]-1H-naphthalen-1-id-2-yl]thieno[2,3-c]pyridine;6-(2,2-dimethylpropyl)-4-[8-[3-[6-(2,2-dimethylpropyl)thieno[3,2-d]pyrimidin-4-yl]benzene-2-id-1-yl]-1H-naphthalen-1-id-2-yl]thieno[3,2-d]pyrimidine;tetrakis(platinum(2+))

bis(8-(2,2-dimethylpropyl)-1-[8-[3-[8-(2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridin-1-yl]benzene-2-id-1-yl]-1H-naphthalen-1-id-2-yl]-[1]benzothiolo[2,3-c]pyridine);2-(2,2-dimethylpropyl)-7-[8-[3-[2-(2,2-dimethylpropyl)thieno[2,3-c]pyridin-7-yl]benzene-2-id-1-yl]-1H-naphthalen-1-id-2-yl]thieno[2,3-c]pyridine;6-(2,2-dimethylpropyl)-4-[8-[3-[6-(2,2-dimethylpropyl)thieno[3,2-d]pyrimidin-4-yl]benzene-2-id-1-yl]-1H-naphthalen-1-id-2-yl]thieno[3,2-d]pyrimidine;tetrakis(platinum(2+)) (PubChem CID 157430846) has the molecular formula C174H150N10Pt4S8 and a molecular weight of 3418.03 g/mol. Its IUPAC name is bis(8-(2,2-dimethylpropyl)-1-[8-[3-[8-(2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridin-1-yl]benzene-2-id-1-yl]-1H-naphthalen-1-id-2-yl]-[1]benzothiolo[2,3-c]pyridine);2-(2,2-dimethylpropyl)-7-[8-[3-[2-(2,2-dimethylpropyl)thieno[2,3-c]pyridin-7-yl]benzene-2-id-1-yl]-1H-naphthalen-1-id-2-yl]thieno[2,3-c]pyridine;6-(2,2-dimethylpropyl)-4-[8-[3-[6-(2,2-dimethylpropyl)thieno[3,2-d]pyrimidin-4-yl]benzene-2-id-1-yl]-1H-naphthalen-1-id-2-yl]thieno[3,2-d]pyrimidine;tetrakis(platinum(2+)).

Molecular Properties

• Compound Name: bis(8-(2,2-dimethylpropyl)-1-[8-[3-[8-(2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridin-1-yl]benzene-2-id-1-yl]-1H-naphthalen-1-id-2-yl]-[1]benzothiolo[2,3-c]pyridine);2-(2,2-dimethylpropyl)-7-[8-[3-[2-(2,2-dimethylpropyl)thieno[2,3-c]pyridin-7-yl]benzene-2-id-1-yl]-1H-naphthalen-1-id-2-yl]thieno[2,3-c]pyridine;6-(2,2-dimethylpropyl)-4-[8-[3-[6-(2,2-dimethylpropyl)thieno[3,2-d]pyrimidin-4-yl]benzene-2-id-1-yl]-1H-naphthalen-1-id-2-yl]thieno[3,2-d]pyrimidine;tetrakis(platinum(2+))
• PubChem CID: 157430846
• Molecular Formula: C174H150N10Pt4S8
• Molecular Weight: 3418.03 g/mol
• Exact Mass: 3414.84
• IUPAC Name: bis(8-(2,2-dimethylpropyl)-1-[8-[3-[8-(2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridin-1-yl]benzene-2-id-1-yl]-1H-naphthalen-1-id-2-yl]-[1]benzothiolo[2,3-c]pyridine);2-(2,2-dimethylpropyl)-7-[8-[3-[2-(2,2-dimethylpropyl)thieno[2,3-c]pyridin-7-yl]benzene-2-id-1-yl]-1H-naphthalen-1-id-2-yl]thieno[2,3-c]pyridine;6-(2,2-dimethylpropyl)-4-[8-[3-[6-(2,2-dimethylpropyl)thieno[3,2-d]pyrimidin-4-yl]benzene-2-id-1-yl]-1H-naphthalen-1-id-2-yl]thieno[3,2-d]pyrimidine;tetrakis(platinum(2+))
• SMILES: CC(C)(C)Cc1cc2ccnc(-c3[c-]c(-c4cccc5ccc(-c6nccc7cc(CC(C)(C)C)sc67)[c-]c45)ccc3)c2s1.CC(C)(C)Cc1cc2ncnc(-c3[c-]c(-c4cccc5ccc(-c6ncnc7cc(CC(C)(C)C)sc67)[c-]c45)ccc3)c2s1.CC(C)(C)Cc1cccc2c1sc1c(-c3[c-]c(-c4cccc5ccc(-c6nccc7c6sc6c(CC(C)(C)C)cccc67)[c-]c45)ccc3)nccc12.CC(C)(C)Cc1cccc2c1sc1c(-c3[c-]c(-c4cccc5ccc(-c6nccc7c6sc6c(CC(C)(C)C)cccc67)[c-]c45)ccc3)nccc12.[Pt+2].[Pt+2].[Pt+2].[Pt+2]
• InChI: InChI=1S/2C48H40N2S2.C40H36N2S2.C38H34N4S2.4Pt/c2*1-47(2,3)27-33-14-9-17-36-38-21-23-49-41(45(38)51-43(33)36)31-13-7-12-30(25-31)35-16-8-11-29-19-20-32(26-40(29)35)42-46-39(22-24-50-42)37-18-10-15-34(44(37)52-46)28-48(4,5)6;1-39(2,3)23-31-20-29-15-17-41-35(37(29)43-31)27-11-7-10-26(19-27)33-12-8-9-25-13-14-28(22-34(25)33)36-38-30(16-18-42-36)21-32(44-38)24-40(4,5)6;1-37(2,3)19-27-17-31-35(43-27)33(41-21-39-31)25-11-7-10-24(15-25)29-12-8-9-23-13-14-26(16-30(23)29)34-36-32(40-22-42-34)18-28(44-36)20-38(4,5)6;;;;/h2*7-24H,27-28H2,1-6H3;7-18,20-21H,23-24H2,1-6H3;7-14,17-18,21-22H,19-20H2,1-6H3;;;;/q4*-2;4*+2
• InChIKey: BMNISAQANDDILJ-UHFFFAOYSA-N
• XLogP: 50.74
• TPSA: 128.90 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 20
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3418.03
LogP ≤ 5	50.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(8-(2,2-dimethylpropyl)-1-[8-[3-[8-(2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridin-1-yl]benzene-2-id-1-yl]-1H-naphthalen-1-id-2-yl]-[1]benzothiolo[2,3-c]pyridine);2-(2,2-dimethylpropyl)-7-[8-[3-[2-(2,2-dimethylpropyl)thieno[2,3-c]pyridin-7-yl]benzene-2-id-1-yl]-1H-naphthalen-1-id-2-yl]thieno[2,3-c]pyridine;6-(2,2-dimethylpropyl)-4-[8-[3-[6-(2,2-dimethylpropyl)thieno[3,2-d]pyrimidin-4-yl]benzene-2-id-1-yl]-1H-naphthalen-1-id-2-yl]thieno[3,2-d]pyrimidine;tetrakis(platinum(2+))?

The IUPAC name of bis(8-(2,2-dimethylpropyl)-1-[8-[3-[8-(2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridin-1-yl]benzene-2-id-1-yl]-1H-naphthalen-1-id-2-yl]-[1]benzothiolo[2,3-c]pyridine);2-(2,2-dimethylpropyl)-7-[8-[3-[2-(2,2-dimethylpropyl)thieno[2,3-c]pyridin-7-yl]benzene-2-id-1-yl]-1H-naphthalen-1-id-2-yl]thieno[2,3-c]pyridine;6-(2,2-dimethylpropyl)-4-[8-[3-[6-(2,2-dimethylpropyl)thieno[3,2-d]pyrimidin-4-yl]benzene-2-id-1-yl]-1H-naphthalen-1-id-2-yl]thieno[3,2-d]pyrimidine;tetrakis(platinum(2+)) (CID 157430846) is bis(8-(2,2-dimethylpropyl)-1-[8-[3-[8-(2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridin-1-yl]benzene-2-id-1-yl]-1H-naphthalen-1-id-2-yl]-[1]benzothiolo[2,3-c]pyridine);2-(2,2-dimethylpropyl)-7-[8-[3-[2-(2,2-dimethylpropyl)thieno[2,3-c]pyridin-7-yl]benzene-2-id-1-yl]-1H-naphthalen-1-id-2-yl]thieno[2,3-c]pyridine;6-(2,2-dimethylpropyl)-4-[8-[3-[6-(2,2-dimethylpropyl)thieno[3,2-d]pyrimidin-4-yl]benzene-2-id-1-yl]-1H-naphthalen-1-id-2-yl]thieno[3,2-d]pyrimidine;tetrakis(platinum(2+)).

What is the SMILES notation for bis(8-(2,2-dimethylpropyl)-1-[8-[3-[8-(2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridin-1-yl]benzene-2-id-1-yl]-1H-naphthalen-1-id-2-yl]-[1]benzothiolo[2,3-c]pyridine);2-(2,2-dimethylpropyl)-7-[8-[3-[2-(2,2-dimethylpropyl)thieno[2,3-c]pyridin-7-yl]benzene-2-id-1-yl]-1H-naphthalen-1-id-2-yl]thieno[2,3-c]pyridine;6-(2,2-dimethylpropyl)-4-[8-[3-[6-(2,2-dimethylpropyl)thieno[3,2-d]pyrimidin-4-yl]benzene-2-id-1-yl]-1H-naphthalen-1-id-2-yl]thieno[3,2-d]pyrimidine;tetrakis(platinum(2+))?

The canonical SMILES for bis(8-(2,2-dimethylpropyl)-1-[8-[3-[8-(2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridin-1-yl]benzene-2-id-1-yl]-1H-naphthalen-1-id-2-yl]-[1]benzothiolo[2,3-c]pyridine);2-(2,2-dimethylpropyl)-7-[8-[3-[2-(2,2-dimethylpropyl)thieno[2,3-c]pyridin-7-yl]benzene-2-id-1-yl]-1H-naphthalen-1-id-2-yl]thieno[2,3-c]pyridine;6-(2,2-dimethylpropyl)-4-[8-[3-[6-(2,2-dimethylpropyl)thieno[3,2-d]pyrimidin-4-yl]benzene-2-id-1-yl]-1H-naphthalen-1-id-2-yl]thieno[3,2-d]pyrimidine;tetrakis(platinum(2+)) is CC(C)(C)Cc1cc2ccnc(-c3[c-]c(-c4cccc5ccc(-c6nccc7cc(CC(C)(C)C)sc67)[c-]c45)ccc3)c2s1.CC(C)(C)Cc1cc2ncnc(-c3[c-]c(-c4cccc5ccc(-c6ncnc7cc(CC(C)(C)C)sc67)[c-]c45)ccc3)c2s1.CC(C)(C)Cc1cccc2c1sc1c(-c3[c-]c(-c4cccc5ccc(-c6nccc7c6sc6c(CC(C)(C)C)cccc67)[c-]c45)ccc3)nccc12.CC(C)(C)Cc1cccc2c1sc1c(-c3[c-]c(-c4cccc5ccc(-c6nccc7c6sc6c(CC(C)(C)C)cccc67)[c-]c45)ccc3)nccc12.[Pt+2].[Pt+2].[Pt+2].[Pt+2].

What is the InChIKey of bis(8-(2,2-dimethylpropyl)-1-[8-[3-[8-(2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridin-1-yl]benzene-2-id-1-yl]-1H-naphthalen-1-id-2-yl]-[1]benzothiolo[2,3-c]pyridine);2-(2,2-dimethylpropyl)-7-[8-[3-[2-(2,2-dimethylpropyl)thieno[2,3-c]pyridin-7-yl]benzene-2-id-1-yl]-1H-naphthalen-1-id-2-yl]thieno[2,3-c]pyridine;6-(2,2-dimethylpropyl)-4-[8-[3-[6-(2,2-dimethylpropyl)thieno[3,2-d]pyrimidin-4-yl]benzene-2-id-1-yl]-1H-naphthalen-1-id-2-yl]thieno[3,2-d]pyrimidine;tetrakis(platinum(2+))?

The InChIKey is BMNISAQANDDILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C48H40N2S2.C40H36N2S2.C38H34N4S2.4Pt/c2*1-47(2,3)27-33-14-9-17-36-38-21-23-49-41(45(38)51-43(33)36)31-13-7-12-30(25-31)35-16-8-11-29-19-20-32(26-40(29)35)42-46-39(22-24-50-42)37-18-10-15-34(44(37)52-46)28-48(4,5)6;1-39(2,3)23-31-20-29-15-17-41-35(37(29)43-31)27-11-7-10-26(19-27)33-12-8-9-25-13-14-28(22-34(25)33)36-38-30(16-18-42-36)21-32(44-38)24-40(4,5)6;1-37(2,3)19-27-17-31-35(43-27)33(41-21-39-31)25-11-7-10-24(15-25)29-12-8-9-23-13-14-26(16-30(23)29)34-36-32(40-22-42-34)18-28(44-36)20-38(4,5)6;;;;/h2*7-24H,27-28H2,1-6H3;7-18,20-21H,23-24H2,1-6H3;7-14,17-18,21-22H,19-20H2,1-6H3;;;;/q4*-2;4*+2.

What are the key properties of bis(8-(2,2-dimethylpropyl)-1-[8-[3-[8-(2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridin-1-yl]benzene-2-id-1-yl]-1H-naphthalen-1-id-2-yl]-[1]benzothiolo[2,3-c]pyridine);2-(2,2-dimethylpropyl)-7-[8-[3-[2-(2,2-dimethylpropyl)thieno[2,3-c]pyridin-7-yl]benzene-2-id-1-yl]-1H-naphthalen-1-id-2-yl]thieno[2,3-c]pyridine;6-(2,2-dimethylpropyl)-4-[8-[3-[6-(2,2-dimethylpropyl)thieno[3,2-d]pyrimidin-4-yl]benzene-2-id-1-yl]-1H-naphthalen-1-id-2-yl]thieno[3,2-d]pyrimidine;tetrakis(platinum(2+))?

bis(8-(2,2-dimethylpropyl)-1-[8-[3-[8-(2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridin-1-yl]benzene-2-id-1-yl]-1H-naphthalen-1-id-2-yl]-[1]benzothiolo[2,3-c]pyridine);2-(2,2-dimethylpropyl)-7-[8-[3-[2-(2,2-dimethylpropyl)thieno[2,3-c]pyridin-7-yl]benzene-2-id-1-yl]-1H-naphthalen-1-id-2-yl]thieno[2,3-c]pyridine;6-(2,2-dimethylpropyl)-4-[8-[3-[6-(2,2-dimethylpropyl)thieno[3,2-d]pyrimidin-4-yl]benzene-2-id-1-yl]-1H-naphthalen-1-id-2-yl]thieno[3,2-d]pyrimidine;tetrakis(platinum(2+)) has a molecular weight of 3418.03 g/mol, XLogP of 50.74, 20 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for bis(8-(2,2-dimethylpropyl)-1-[8-[3-[8-(2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridin-1-yl]benzene-2-id-1-yl]-1H-naphthalen-1-id-2-yl]-[1]benzothiolo[2,3-c]pyridine);2-(2,2-dimethylpropyl)-7-[8-[3-[2-(2,2-dimethylpropyl)thieno[2,3-c]pyridin-7-yl]benzene-2-id-1-yl]-1H-naphthalen-1-id-2-yl]thieno[2,3-c]pyridine;6-(2,2-dimethylpropyl)-4-[8-[3-[6-(2,2-dimethylpropyl)thieno[3,2-d]pyrimidin-4-yl]benzene-2-id-1-yl]-1H-naphthalen-1-id-2-yl]thieno[3,2-d]pyrimidine;tetrakis(platinum(2+)) is sourced from PubChem (CID 157430846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).