bis(chloroplatinum(1+));5-[5-[3,4-dibutyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2-[3-[5-[5-[3,4-dibutyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2-pyridinyl]benzene-2-id-1-yl]pyridine;5-[5-[3,4-dimethyl-5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-[3-[5-[5-[3,4-dimethyl-5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-pyridinyl]benzene-2-id-1-yl]pyridine;methane

C114H110Cl2N4O8Pt2S12 — CID 160885070

About bis(chloroplatinum(1+));5-[5-[3,4-dibutyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2-[3-[5-[5-[3,4-dibutyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2-pyridinyl]benzene-2-id-1-yl]pyridine;5-[5-[3,4-dimethyl-5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-[3-[5-[5-[3,4-dimethyl-5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-pyridinyl]benzene-2-id-1-yl]pyridine;methane

bis(chloroplatinum(1+));5-[5-[3,4-dibutyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2-[3-[5-[5-[3,4-dibutyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2-pyridinyl]benzene-2-id-1-yl]pyridine;5-[5-[3,4-dimethyl-5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-[3-[5-[5-[3,4-dimethyl-5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-pyridinyl]benzene-2-id-1-yl]pyridine;methane (PubChem CID 160885070) has the molecular formula C114H110Cl2N4O8Pt2S12 and a molecular weight of 2510.02 g/mol. Its IUPAC name is bis(chloroplatinum(1+));5-[5-[3,4-dibutyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2-[3-[5-[5-[3,4-dibutyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2-pyridinyl]benzene-2-id-1-yl]pyridine;5-[5-[3,4-dimethyl-5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-[3-[5-[5-[3,4-dimethyl-5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-pyridinyl]benzene-2-id-1-yl]pyridine;methane.

Molecular Properties

• Compound Name: bis(chloroplatinum(1+));5-[5-[3,4-dibutyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2-[3-[5-[5-[3,4-dibutyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2-pyridinyl]benzene-2-id-1-yl]pyridine;5-[5-[3,4-dimethyl-5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-[3-[5-[5-[3,4-dimethyl-5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-pyridinyl]benzene-2-id-1-yl]pyridine;methane
• PubChem CID: 160885070
• Molecular Formula: C114H110Cl2N4O8Pt2S12
• Molecular Weight: 2510.02 g/mol
• Exact Mass: 2506.36
• IUPAC Name: bis(chloroplatinum(1+));5-[5-[3,4-dibutyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2-[3-[5-[5-[3,4-dibutyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2-pyridinyl]benzene-2-id-1-yl]pyridine;5-[5-[3,4-dimethyl-5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-[3-[5-[5-[3,4-dimethyl-5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-pyridinyl]benzene-2-id-1-yl]pyridine;methane
• SMILES: C.C.CCCCc1c(-c2ccc(C)s2)sc(-c2ccc(-c3ccc(-c4[c-]c(-c5ccc(-c6ccc(-c7sc(-c8ccc(C)s8)c(CCCC)c7CCCC)s6)cn5)ccc4)nc3)s2)c1CCCC.Cc1sc(-c2sc(-c3sc(-c4ccc(-c5[c-]c(-c6ccc(-c7sc(-c8sc(-c9sc(C)c%10c9OCCO%10)c(C)c8C)c8c7OCCO8)cn6)ccc5)nc4)c4c3OCCO4)c(C)c2C)c2c1OCCO2.Cl[Pt+].Cl[Pt+]
• InChI: InChI=1S/C58H59N2S6.C54H43N2O8S6.2CH4.2ClH.2Pt/c1-7-11-18-43-45(20-13-9-3)57(65-55(43)51-28-22-37(5)61-51)53-32-30-49(63-53)41-24-26-47(59-35-41)39-16-15-17-40(34-39)48-27-25-42(36-60-48)50-31-33-54(64-50)58-46(21-14-10-4)44(19-12-8-2)56(66-58)52-29-23-38(6)62-52;1-25-27(3)47(67-45(25)51-39-37(29(5)65-51)57-14-16-59-39)53-43-41(61-18-20-63-43)49(69-53)33-10-12-35(55-23-33)31-8-7-9-32(22-31)36-13-11-34(24-56-36)50-42-44(64-21-19-62-42)54(70-50)48-28(4)26(2)46(68-48)52-40-38(30(6)66-52)58-15-17-60-40;;;;;;/h15-17,22-33,35-36H,7-14,18-21H2,1-6H3;7-13,23-24H,14-21H2,1-6H3;2*1H4;2*1H;;/q2*-1;;;;;2*+2/p-2
• InChIKey: DHKJYMMMZHXFIV-UHFFFAOYSA-L
• XLogP: 37.53
• TPSA: 125.40 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 28
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2510.02
LogP ≤ 5	37.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(chloroplatinum(1+));5-[5-[3,4-dibutyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2-[3-[5-[5-[3,4-dibutyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2-pyridinyl]benzene-2-id-1-yl]pyridine;5-[5-[3,4-dimethyl-5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-[3-[5-[5-[3,4-dimethyl-5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-pyridinyl]benzene-2-id-1-yl]pyridine;methane?

The IUPAC name of bis(chloroplatinum(1+));5-[5-[3,4-dibutyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2-[3-[5-[5-[3,4-dibutyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2-pyridinyl]benzene-2-id-1-yl]pyridine;5-[5-[3,4-dimethyl-5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-[3-[5-[5-[3,4-dimethyl-5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-pyridinyl]benzene-2-id-1-yl]pyridine;methane (CID 160885070) is bis(chloroplatinum(1+));5-[5-[3,4-dibutyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2-[3-[5-[5-[3,4-dibutyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2-pyridinyl]benzene-2-id-1-yl]pyridine;5-[5-[3,4-dimethyl-5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-[3-[5-[5-[3,4-dimethyl-5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-pyridinyl]benzene-2-id-1-yl]pyridine;methane.

What is the SMILES notation for bis(chloroplatinum(1+));5-[5-[3,4-dibutyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2-[3-[5-[5-[3,4-dibutyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2-pyridinyl]benzene-2-id-1-yl]pyridine;5-[5-[3,4-dimethyl-5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-[3-[5-[5-[3,4-dimethyl-5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-pyridinyl]benzene-2-id-1-yl]pyridine;methane?

The canonical SMILES for bis(chloroplatinum(1+));5-[5-[3,4-dibutyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2-[3-[5-[5-[3,4-dibutyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2-pyridinyl]benzene-2-id-1-yl]pyridine;5-[5-[3,4-dimethyl-5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-[3-[5-[5-[3,4-dimethyl-5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-pyridinyl]benzene-2-id-1-yl]pyridine;methane is C.C.CCCCc1c(-c2ccc(C)s2)sc(-c2ccc(-c3ccc(-c4[c-]c(-c5ccc(-c6ccc(-c7sc(-c8ccc(C)s8)c(CCCC)c7CCCC)s6)cn5)ccc4)nc3)s2)c1CCCC.Cc1sc(-c2sc(-c3sc(-c4ccc(-c5[c-]c(-c6ccc(-c7sc(-c8sc(-c9sc(C)c%10c9OCCO%10)c(C)c8C)c8c7OCCO8)cn6)ccc5)nc4)c4c3OCCO4)c(C)c2C)c2c1OCCO2.Cl[Pt+].Cl[Pt+].

What is the InChIKey of bis(chloroplatinum(1+));5-[5-[3,4-dibutyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2-[3-[5-[5-[3,4-dibutyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2-pyridinyl]benzene-2-id-1-yl]pyridine;5-[5-[3,4-dimethyl-5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-[3-[5-[5-[3,4-dimethyl-5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-pyridinyl]benzene-2-id-1-yl]pyridine;methane?

The InChIKey is DHKJYMMMZHXFIV-UHFFFAOYSA-L. The full InChI is InChI=1S/C58H59N2S6.C54H43N2O8S6.2CH4.2ClH.2Pt/c1-7-11-18-43-45(20-13-9-3)57(65-55(43)51-28-22-37(5)61-51)53-32-30-49(63-53)41-24-26-47(59-35-41)39-16-15-17-40(34-39)48-27-25-42(36-60-48)50-31-33-54(64-50)58-46(21-14-10-4)44(19-12-8-2)56(66-58)52-29-23-38(6)62-52;1-25-27(3)47(67-45(25)51-39-37(29(5)65-51)57-14-16-59-39)53-43-41(61-18-20-63-43)49(69-53)33-10-12-35(55-23-33)31-8-7-9-32(22-31)36-13-11-34(24-56-36)50-42-44(64-21-19-62-42)54(70-50)48-28(4)26(2)46(68-48)52-40-38(30(6)66-52)58-15-17-60-40;;;;;;/h15-17,22-33,35-36H,7-14,18-21H2,1-6H3;7-13,23-24H,14-21H2,1-6H3;2*1H4;2*1H;;/q2*-1;;;;;2*+2/p-2.

What are the key properties of bis(chloroplatinum(1+));5-[5-[3,4-dibutyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2-[3-[5-[5-[3,4-dibutyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2-pyridinyl]benzene-2-id-1-yl]pyridine;5-[5-[3,4-dimethyl-5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-[3-[5-[5-[3,4-dimethyl-5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-pyridinyl]benzene-2-id-1-yl]pyridine;methane?

bis(chloroplatinum(1+));5-[5-[3,4-dibutyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2-[3-[5-[5-[3,4-dibutyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2-pyridinyl]benzene-2-id-1-yl]pyridine;5-[5-[3,4-dimethyl-5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-[3-[5-[5-[3,4-dimethyl-5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-pyridinyl]benzene-2-id-1-yl]pyridine;methane has a molecular weight of 2510.02 g/mol, XLogP of 37.53, 28 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for bis(chloroplatinum(1+));5-[5-[3,4-dibutyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2-[3-[5-[5-[3,4-dibutyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2-pyridinyl]benzene-2-id-1-yl]pyridine;5-[5-[3,4-dimethyl-5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-[3-[5-[5-[3,4-dimethyl-5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-pyridinyl]benzene-2-id-1-yl]pyridine;methane is sourced from PubChem (CID 160885070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).