bis(2,4-di(propan-2-yl)-6-[4-[3-propan-2-yl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol);bis(2,4-di(propan-2-yl)-6-[4-[3-propan-2-yl-5-(4-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]-6-trimethylsilyl-1,3-benzothiazol-2-yl]phenol);platinum

C150H180N8O4Pt4S4Si6-4 — CID 157111729

IUPACbis(2,4-di(propan-2-yl)-6-[4-[3-propan-2-yl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol);bis(2,4-di(propan-2-yl)-6-[4-[3-propan-2-yl-5-(4-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]-6-trimethylsilyl-1,3-benzothiazol-2-yl]phenol);platinum
SMILESCC(C)c1cc(-c2cc([Si](C)(C)C)ccn2)[c-]c(-c2cc([Si](C)(C)C)cc3sc(-c4cc(C(C)C)cc(C(C)C)c4O)nc23)c1.CC(C)c1cc(-c2cc([Si](C)(C)C)ccn2)[c-]c(-c2cc([Si](C)(C)C)cc3sc(-c4cc(C(C)C)cc(C(C)C)c4O)nc23)c1.CC(C)c1cc(-c2ccc([Si](C)(C)C)cn2)[c-]c(-c2cccc3sc(-c4cc(C(C)C)cc(C(C)C)c4O)nc23)c1.CC(C)c1cc(-c2ccc([Si](C)(C)C)cn2)[c-]c(-c2cccc3sc(-c4cc(C(C)C)cc(C(C)C)c4O)nc23)c1.[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/2C39H49N2OSSi2.2C36H41N2OSSi.4Pt/c2*1-23(2)26-15-28(17-29(16-26)35-21-30(13-14-40-35)44(7,8)9)33-20-31(45(10,11)12)22-36-37(33)41-39(43-36)34-19-27(24(3)4)18-32(25(5)6)38(34)42;2*1-21(2)24-15-26(17-27(16-24)32-14-13-28(20-37-32)41(7,8)9)29-11-10-12-33-34(29)38-36(40-33)31-19-25(22(3)4)18-30(23(5)6)35(31)39;;;;/h2*13-16,18-25,42H,1-12H3;2*10-16,18-23,39H,1-9H3;;;;/q4*-1;;;;
InChIKeyBHPCFJNTXXBTNV-UHFFFAOYSA-N
MW3236.24 g/mol
LogP41.53
Rot. Bonds30

About bis(2,4-di(propan-2-yl)-6-[4-[3-propan-2-yl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol);bis(2,4-di(propan-2-yl)-6-[4-[3-propan-2-yl-5-(4-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]-6-trimethylsilyl-1,3-benzothiazol-2-yl]phenol);platinum

bis(2,4-di(propan-2-yl)-6-[4-[3-propan-2-yl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol);bis(2,4-di(propan-2-yl)-6-[4-[3-propan-2-yl-5-(4-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]-6-trimethylsilyl-1,3-benzothiazol-2-yl]phenol);platinum (PubChem CID 157111729) has the molecular formula C150H180N8O4Pt4S4Si6-4 and a molecular weight of 3236.24 g/mol. Its IUPAC name is bis(2,4-di(propan-2-yl)-6-[4-[3-propan-2-yl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol);bis(2,4-di(propan-2-yl)-6-[4-[3-propan-2-yl-5-(4-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]-6-trimethylsilyl-1,3-benzothiazol-2-yl]phenol);platinum.

Molecular Properties

Compound Namebis(2,4-di(propan-2-yl)-6-[4-[3-propan-2-yl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol);bis(2,4-di(propan-2-yl)-6-[4-[3-propan-2-yl-5-(4-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]-6-trimethylsilyl-1,3-benzothiazol-2-yl]phenol);platinum
PubChem CID157111729
Molecular FormulaC150H180N8O4Pt4S4Si6-4
Molecular Weight3236.24 g/mol
Exact Mass3233.02
IUPAC Namebis(2,4-di(propan-2-yl)-6-[4-[3-propan-2-yl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol);bis(2,4-di(propan-2-yl)-6-[4-[3-propan-2-yl-5-(4-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]-6-trimethylsilyl-1,3-benzothiazol-2-yl]phenol);platinum
SMILESCC(C)c1cc(-c2cc([Si](C)(C)C)ccn2)[c-]c(-c2cc([Si](C)(C)C)cc3sc(-c4cc(C(C)C)cc(C(C)C)c4O)nc23)c1.CC(C)c1cc(-c2cc([Si](C)(C)C)ccn2)[c-]c(-c2cc([Si](C)(C)C)cc3sc(-c4cc(C(C)C)cc(C(C)C)c4O)nc23)c1.CC(C)c1cc(-c2ccc([Si](C)(C)C)cn2)[c-]c(-c2cccc3sc(-c4cc(C(C)C)cc(C(C)C)c4O)nc23)c1.CC(C)c1cc(-c2ccc([Si](C)(C)C)cn2)[c-]c(-c2cccc3sc(-c4cc(C(C)C)cc(C(C)C)c4O)nc23)c1.[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/2C39H49N2OSSi2.2C36H41N2OSSi.4Pt/c2*1-23(2)26-15-28(17-29(16-26)35-21-30(13-14-40-35)44(7,8)9)33-20-31(45(10,11)12)22-36-37(33)41-39(43-36)34-19-27(24(3)4)18-32(25(5)6)38(34)42;2*1-21(2)24-15-26(17-27(16-24)32-14-13-28(20-37-32)41(7,8)9)29-11-10-12-33-34(29)38-36(40-33)31-19-25(22(3)4)18-30(23(5)6)35(31)39;;;;/h2*13-16,18-25,42H,1-12H3;2*10-16,18-23,39H,1-9H3;;;;/q4*-1;;;;
InChIKeyBHPCFJNTXXBTNV-UHFFFAOYSA-N
XLogP41.53
TPSA184.04 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds30
Heavy Atoms176
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003236.24
LogP ≤ 541.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze bis(2,4-di(propan-2-yl)-6-[4-[3-propan-2-yl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol);bis(2,4-di(propan-2-yl)-6-[4-[3-propan-2-yl-5-(4-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]-6-trimethylsilyl-1,3-benzothiazol-2-yl]phenol);platinum with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(2,4-di(propan-2-yl)-6-[4-[3-propan-2-yl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol);bis(2,4-di(propan-2-yl)-6-[4-[3-propan-2-yl-5-(4-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]-6-trimethylsilyl-1,3-benzothiazol-2-yl]phenol);platinum?
The IUPAC name of bis(2,4-di(propan-2-yl)-6-[4-[3-propan-2-yl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol);bis(2,4-di(propan-2-yl)-6-[4-[3-propan-2-yl-5-(4-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]-6-trimethylsilyl-1,3-benzothiazol-2-yl]phenol);platinum (CID 157111729) is bis(2,4-di(propan-2-yl)-6-[4-[3-propan-2-yl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol);bis(2,4-di(propan-2-yl)-6-[4-[3-propan-2-yl-5-(4-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]-6-trimethylsilyl-1,3-benzothiazol-2-yl]phenol);platinum.
What is the SMILES notation for bis(2,4-di(propan-2-yl)-6-[4-[3-propan-2-yl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol);bis(2,4-di(propan-2-yl)-6-[4-[3-propan-2-yl-5-(4-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]-6-trimethylsilyl-1,3-benzothiazol-2-yl]phenol);platinum?
The canonical SMILES for bis(2,4-di(propan-2-yl)-6-[4-[3-propan-2-yl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol);bis(2,4-di(propan-2-yl)-6-[4-[3-propan-2-yl-5-(4-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]-6-trimethylsilyl-1,3-benzothiazol-2-yl]phenol);platinum is CC(C)c1cc(-c2cc([Si](C)(C)C)ccn2)[c-]c(-c2cc([Si](C)(C)C)cc3sc(-c4cc(C(C)C)cc(C(C)C)c4O)nc23)c1.CC(C)c1cc(-c2cc([Si](C)(C)C)ccn2)[c-]c(-c2cc([Si](C)(C)C)cc3sc(-c4cc(C(C)C)cc(C(C)C)c4O)nc23)c1.CC(C)c1cc(-c2ccc([Si](C)(C)C)cn2)[c-]c(-c2cccc3sc(-c4cc(C(C)C)cc(C(C)C)c4O)nc23)c1.CC(C)c1cc(-c2ccc([Si](C)(C)C)cn2)[c-]c(-c2cccc3sc(-c4cc(C(C)C)cc(C(C)C)c4O)nc23)c1.[Pt].[Pt].[Pt].[Pt].
What is the InChIKey of bis(2,4-di(propan-2-yl)-6-[4-[3-propan-2-yl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol);bis(2,4-di(propan-2-yl)-6-[4-[3-propan-2-yl-5-(4-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]-6-trimethylsilyl-1,3-benzothiazol-2-yl]phenol);platinum?
The InChIKey is BHPCFJNTXXBTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C39H49N2OSSi2.2C36H41N2OSSi.4Pt/c2*1-23(2)26-15-28(17-29(16-26)35-21-30(13-14-40-35)44(7,8)9)33-20-31(45(10,11)12)22-36-37(33)41-39(43-36)34-19-27(24(3)4)18-32(25(5)6)38(34)42;2*1-21(2)24-15-26(17-27(16-24)32-14-13-28(20-37-32)41(7,8)9)29-11-10-12-33-34(29)38-36(40-33)31-19-25(22(3)4)18-30(23(5)6)35(31)39;;;;/h2*13-16,18-25,42H,1-12H3;2*10-16,18-23,39H,1-9H3;;;;/q4*-1;;;;.
What are the key properties of bis(2,4-di(propan-2-yl)-6-[4-[3-propan-2-yl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol);bis(2,4-di(propan-2-yl)-6-[4-[3-propan-2-yl-5-(4-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]-6-trimethylsilyl-1,3-benzothiazol-2-yl]phenol);platinum?
bis(2,4-di(propan-2-yl)-6-[4-[3-propan-2-yl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol);bis(2,4-di(propan-2-yl)-6-[4-[3-propan-2-yl-5-(4-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]-6-trimethylsilyl-1,3-benzothiazol-2-yl]phenol);platinum has a molecular weight of 3236.24 g/mol, XLogP of 41.53, 30 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4-di(propan-2-yl)-6-[4-[3-propan-2-yl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenol);bis(2,4-di(propan-2-yl)-6-[4-[3-propan-2-yl-5-(4-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]-6-trimethylsilyl-1,3-benzothiazol-2-yl]phenol);platinum is sourced from PubChem (CID 157111729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).