2,4-ditert-butyl-6-[[2-[4-(2,6-dimethyl-4H-pyridin-4-id-3-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-(6H-isoquinolin-6-id-5-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-(3H-quinolin-3-id-4-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-(6H-quinolin-6-id-5-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-(7H-quinolin-7-id-8-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;platinum

C183H172N15O5Pt5S5-5 — CID 158578990

About 2,4-ditert-butyl-6-[[2-[4-(2,6-dimethyl-4H-pyridin-4-id-3-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-(6H-isoquinolin-6-id-5-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-(3H-quinolin-3-id-4-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-(6H-quinolin-6-id-5-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-(7H-quinolin-7-id-8-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;platinum

2,4-ditert-butyl-6-[[2-[4-(2,6-dimethyl-4H-pyridin-4-id-3-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-(6H-isoquinolin-6-id-5-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-(3H-quinolin-3-id-4-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-(6H-quinolin-6-id-5-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-(7H-quinolin-7-id-8-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;platinum (PubChem CID 158578990) has the molecular formula C183H172N15O5Pt5S5-5 and a molecular weight of 3797.21 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[[2-[4-(2,6-dimethyl-4H-pyridin-4-id-3-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-(6H-isoquinolin-6-id-5-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-(3H-quinolin-3-id-4-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-(6H-quinolin-6-id-5-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-(7H-quinolin-7-id-8-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;platinum.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[[2-[4-(2,6-dimethyl-4H-pyridin-4-id-3-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-(6H-isoquinolin-6-id-5-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-(3H-quinolin-3-id-4-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-(6H-quinolin-6-id-5-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-(7H-quinolin-7-id-8-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;platinum
• PubChem CID: 158578990
• Molecular Formula: C183H172N15O5Pt5S5-5
• Molecular Weight: 3797.21 g/mol
• Exact Mass: 3794.05
• IUPAC Name: 2,4-ditert-butyl-6-[[2-[4-(2,6-dimethyl-4H-pyridin-4-id-3-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-(6H-isoquinolin-6-id-5-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-(3H-quinolin-3-id-4-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-(6H-quinolin-6-id-5-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-(7H-quinolin-7-id-8-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;platinum
• SMILES: CC(C)(C)c1cc(/C=N/c2ccccc2-c2nc3c(-c4[c-]ccc5cccnc45)cccc3s2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(/C=N/c2ccccc2-c2nc3c(-c4[c-]ccc5cnccc45)cccc3s2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(/C=N/c2ccccc2-c2nc3c(-c4[c-]ccc5ncccc45)cccc3s2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(/C=N/c2ccccc2-c2nc3c(-c4[c-]cnc5ccccc45)cccc3s2)c(O)c(C(C)(C)C)c1.Cc1c[c-]c(-c2cccc3sc(-c4ccccc4/N=C/c4cc(C(C)(C)C)cc(C(C)(C)C)c4O)nc23)c(C)n1.[Pt].[Pt].[Pt].[Pt].[Pt]
• InChI: InChI=1S/4C37H34N3OS.C35H36N3OS.5Pt/c1-36(2,3)24-20-23(34(41)29(21-24)37(4,5)6)22-39-31-16-10-8-13-28(31)35-40-33-27(14-11-17-32(33)42-35)25-18-19-38-30-15-9-7-12-26(25)30;1-36(2,3)25-20-24(34(41)29(21-25)37(4,5)6)22-39-30-17-8-7-14-28(30)35-40-33-27(16-10-18-31(33)42-35)26-15-9-12-23-13-11-19-38-32(23)26;1-36(2,3)24-20-23(34(41)29(21-24)37(4,5)6)22-39-31-16-8-7-12-28(31)35-40-33-27(14-10-18-32(33)42-35)25-13-9-17-30-26(25)15-11-19-38-30;1-36(2,3)25-19-24(34(41)30(20-25)37(4,5)6)22-39-31-15-8-7-12-29(31)35-40-33-28(14-10-16-32(33)42-35)27-13-9-11-23-21-38-18-17-26(23)27;1-21-16-17-25(22(2)37-21)26-13-11-15-30-31(26)38-33(40-30)27-12-9-10-14-29(27)36-20-23-18-24(34(3,4)5)19-28(32(23)39)35(6,7)8;;;;;/h7-17,19-22,41H,1-6H3;7-14,16-22,41H,1-6H3;2*7-12,14-22,41H,1-6H3;9-16,18-20,39H,1-8H3;;;;;/q5*-1;;;;;/b4*39-22+;36-20+
• InChIKey: JNOQQPKRZYMZQK-YKAUCSHWSA-N
• XLogP: 49.60
• TPSA: 291.85 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 20
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3797.21
LogP ≤ 5	49.60
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[[2-[4-(2,6-dimethyl-4H-pyridin-4-id-3-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-(6H-isoquinolin-6-id-5-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-(3H-quinolin-3-id-4-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-(6H-quinolin-6-id-5-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-(7H-quinolin-7-id-8-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;platinum?

The IUPAC name of 2,4-ditert-butyl-6-[[2-[4-(2,6-dimethyl-4H-pyridin-4-id-3-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-(6H-isoquinolin-6-id-5-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-(3H-quinolin-3-id-4-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-(6H-quinolin-6-id-5-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-(7H-quinolin-7-id-8-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;platinum (CID 158578990) is 2,4-ditert-butyl-6-[[2-[4-(2,6-dimethyl-4H-pyridin-4-id-3-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-(6H-isoquinolin-6-id-5-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-(3H-quinolin-3-id-4-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-(6H-quinolin-6-id-5-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-(7H-quinolin-7-id-8-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;platinum.

What is the SMILES notation for 2,4-ditert-butyl-6-[[2-[4-(2,6-dimethyl-4H-pyridin-4-id-3-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-(6H-isoquinolin-6-id-5-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-(3H-quinolin-3-id-4-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-(6H-quinolin-6-id-5-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-(7H-quinolin-7-id-8-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;platinum?

The canonical SMILES for 2,4-ditert-butyl-6-[[2-[4-(2,6-dimethyl-4H-pyridin-4-id-3-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-(6H-isoquinolin-6-id-5-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-(3H-quinolin-3-id-4-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-(6H-quinolin-6-id-5-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-(7H-quinolin-7-id-8-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;platinum is CC(C)(C)c1cc(/C=N/c2ccccc2-c2nc3c(-c4[c-]ccc5cccnc45)cccc3s2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(/C=N/c2ccccc2-c2nc3c(-c4[c-]ccc5cnccc45)cccc3s2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(/C=N/c2ccccc2-c2nc3c(-c4[c-]ccc5ncccc45)cccc3s2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(/C=N/c2ccccc2-c2nc3c(-c4[c-]cnc5ccccc45)cccc3s2)c(O)c(C(C)(C)C)c1.Cc1c[c-]c(-c2cccc3sc(-c4ccccc4/N=C/c4cc(C(C)(C)C)cc(C(C)(C)C)c4O)nc23)c(C)n1.[Pt].[Pt].[Pt].[Pt].[Pt].

What is the InChIKey of 2,4-ditert-butyl-6-[[2-[4-(2,6-dimethyl-4H-pyridin-4-id-3-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-(6H-isoquinolin-6-id-5-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-(3H-quinolin-3-id-4-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-(6H-quinolin-6-id-5-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-(7H-quinolin-7-id-8-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;platinum?

The InChIKey is JNOQQPKRZYMZQK-YKAUCSHWSA-N. The full InChI is InChI=1S/4C37H34N3OS.C35H36N3OS.5Pt/c1-36(2,3)24-20-23(34(41)29(21-24)37(4,5)6)22-39-31-16-10-8-13-28(31)35-40-33-27(14-11-17-32(33)42-35)25-18-19-38-30-15-9-7-12-26(25)30;1-36(2,3)25-20-24(34(41)29(21-25)37(4,5)6)22-39-30-17-8-7-14-28(30)35-40-33-27(16-10-18-31(33)42-35)26-15-9-12-23-13-11-19-38-32(23)26;1-36(2,3)24-20-23(34(41)29(21-24)37(4,5)6)22-39-31-16-8-7-12-28(31)35-40-33-27(14-10-18-32(33)42-35)25-13-9-17-30-26(25)15-11-19-38-30;1-36(2,3)25-19-24(34(41)30(20-25)37(4,5)6)22-39-31-15-8-7-12-29(31)35-40-33-28(14-10-16-32(33)42-35)27-13-9-11-23-21-38-18-17-26(23)27;1-21-16-17-25(22(2)37-21)26-13-11-15-30-31(26)38-33(40-30)27-12-9-10-14-29(27)36-20-23-18-24(34(3,4)5)19-28(32(23)39)35(6,7)8;;;;;/h7-17,19-22,41H,1-6H3;7-14,16-22,41H,1-6H3;2*7-12,14-22,41H,1-6H3;9-16,18-20,39H,1-8H3;;;;;/q5*-1;;;;;/b4*39-22+;36-20+;;;;;.

What are the key properties of 2,4-ditert-butyl-6-[[2-[4-(2,6-dimethyl-4H-pyridin-4-id-3-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-(6H-isoquinolin-6-id-5-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-(3H-quinolin-3-id-4-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-(6H-quinolin-6-id-5-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-(7H-quinolin-7-id-8-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;platinum?

2,4-ditert-butyl-6-[[2-[4-(2,6-dimethyl-4H-pyridin-4-id-3-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-(6H-isoquinolin-6-id-5-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-(3H-quinolin-3-id-4-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-(6H-quinolin-6-id-5-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-(7H-quinolin-7-id-8-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;platinum has a molecular weight of 3797.21 g/mol, XLogP of 49.60, 20 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-ditert-butyl-6-[[2-[4-(2,6-dimethyl-4H-pyridin-4-id-3-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-(6H-isoquinolin-6-id-5-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-(3H-quinolin-3-id-4-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-(6H-quinolin-6-id-5-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-(7H-quinolin-7-id-8-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;platinum is sourced from PubChem (CID 158578990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).