4-tert-butyl-2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]pyridine;2-[9-[3-[3-(2,6-dimethylphenyl)-5-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]benzene-6-id-1-yl]oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine;(1R,7S)-4-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-diene;tetrakis(platinum(2+));2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-1,3-benzothiazole

C192H151N11O8Pt4S — CID 157119600

About 4-tert-butyl-2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]pyridine;2-[9-[3-[3-(2,6-dimethylphenyl)-5-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]benzene-6-id-1-yl]oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine;(1R,7S)-4-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-diene;tetrakis(platinum(2+));2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-1,3-benzothiazole

4-tert-butyl-2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]pyridine;2-[9-[3-[3-(2,6-dimethylphenyl)-5-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]benzene-6-id-1-yl]oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine;(1R,7S)-4-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-diene;tetrakis(platinum(2+));2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-1,3-benzothiazole (PubChem CID 157119600) has the molecular formula C192H151N11O8Pt4S and a molecular weight of 3552.77 g/mol. Its IUPAC name is 4-tert-butyl-2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]pyridine;2-[9-[3-[3-(2,6-dimethylphenyl)-5-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]benzene-6-id-1-yl]oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine;(1R,7S)-4-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-diene;tetrakis(platinum(2+));2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-1,3-benzothiazole.

Molecular Properties

• Compound Name: 4-tert-butyl-2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]pyridine;2-[9-[3-[3-(2,6-dimethylphenyl)-5-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]benzene-6-id-1-yl]oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine;(1R,7S)-4-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-diene;tetrakis(platinum(2+));2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-1,3-benzothiazole
• PubChem CID: 157119600
• Molecular Formula: C192H151N11O8Pt4S
• Molecular Weight: 3552.77 g/mol
• Exact Mass: 3550.01
• IUPAC Name: 4-tert-butyl-2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]pyridine;2-[9-[3-[3-(2,6-dimethylphenyl)-5-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]benzene-6-id-1-yl]oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine;(1R,7S)-4-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-diene;tetrakis(platinum(2+));2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-1,3-benzothiazole
• SMILES: Cc1cc(C)c(-c2cc(Oc3[c-]c(C4(c5ccccn5)c5ccccc5Oc5ccccc54)ccc3)[c-]c(-c3cc(C(C)(C)C)ccn3)c2)c(C)c1.Cc1cc(C)c(-c2cc(Oc3[c-]c(C4(c5ccccn5)c5ccccc5Oc5ccccc54)ccc3)[c-]c(-c3nc4ccccc4s3)c2)c(C)c1.Cc1cccc(C)c1-c1cc(Oc2[c-]c(C3(c4ccccn4)c4ccccc4Oc4ccccc43)ccc2)[c-]c(-n2cc(-c3c(C(C)C)cccc3C(C)C)nn2)c1.Cc1cccc(C)c1-c1cc(Oc2[c-]c(C3(c4ccccn4)c4ccccc4Oc4ccccc43)ccc2)[c-]c(-n2cc3c(n2)[C@@H]2CC[C@H]3C2)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2]
• InChI: InChI=1S/C52H44N4O2.C48H40N2O2.C46H35N3O2.C46H32N2O2S.4Pt/c1-33(2)42-20-15-21-43(34(3)4)51(42)46-32-56(55-54-46)39-28-37(50-35(5)16-13-17-36(50)6)29-41(31-39)57-40-19-14-18-38(30-40)52(49-26-11-12-27-53-49)44-22-7-9-24-47(44)58-48-25-10-8-23-45(48)52;1-31-24-32(2)46(33(3)25-31)35-26-34(42-30-36(21-23-49-42)47(4,5)6)27-39(28-35)51-38-15-13-14-37(29-38)48(45-20-11-12-22-50-45)40-16-7-9-18-43(40)52-44-19-10-8-17-41(44)48;1-29-11-9-12-30(2)44(29)33-24-35(49-28-38-31-20-21-32(23-31)45(38)48-49)27-37(25-33)50-36-14-10-13-34(26-36)46(43-19-7-8-22-47-43)39-15-3-5-17-41(39)51-42-18-6-4-16-40(42)46;1-29-23-30(2)44(31(3)24-29)32-25-33(45-48-39-17-6-9-20-42(39)51-45)27-36(26-32)49-35-14-12-13-34(28-35)46(43-21-10-11-22-47-43)37-15-4-7-18-40(37)50-41-19-8-5-16-38(41)46;;;;/h7-29,32-34H,1-6H3;7-26,28,30H,1-6H3;3-19,22,24-25,28,31-32H,20-21,23H2,1-2H3;4-26H,1-3H3;;;;/q4*-2;4*+2/t;;31-,32+;;;;;/m..0...../s1
• InChIKey: NMMOSIYAEKLAOG-ZJAWWXNDSA-N
• XLogP: 47.27
• TPSA: 199.71 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 27
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3552.77
LogP ≤ 5	47.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]pyridine;2-[9-[3-[3-(2,6-dimethylphenyl)-5-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]benzene-6-id-1-yl]oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine;(1R,7S)-4-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-diene;tetrakis(platinum(2+));2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-1,3-benzothiazole?

The IUPAC name of 4-tert-butyl-2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]pyridine;2-[9-[3-[3-(2,6-dimethylphenyl)-5-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]benzene-6-id-1-yl]oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine;(1R,7S)-4-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-diene;tetrakis(platinum(2+));2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-1,3-benzothiazole (CID 157119600) is 4-tert-butyl-2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]pyridine;2-[9-[3-[3-(2,6-dimethylphenyl)-5-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]benzene-6-id-1-yl]oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine;(1R,7S)-4-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-diene;tetrakis(platinum(2+));2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-1,3-benzothiazole.

What is the SMILES notation for 4-tert-butyl-2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]pyridine;2-[9-[3-[3-(2,6-dimethylphenyl)-5-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]benzene-6-id-1-yl]oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine;(1R,7S)-4-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-diene;tetrakis(platinum(2+));2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-1,3-benzothiazole?

The canonical SMILES for 4-tert-butyl-2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]pyridine;2-[9-[3-[3-(2,6-dimethylphenyl)-5-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]benzene-6-id-1-yl]oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine;(1R,7S)-4-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-diene;tetrakis(platinum(2+));2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-1,3-benzothiazole is Cc1cc(C)c(-c2cc(Oc3[c-]c(C4(c5ccccn5)c5ccccc5Oc5ccccc54)ccc3)[c-]c(-c3cc(C(C)(C)C)ccn3)c2)c(C)c1.Cc1cc(C)c(-c2cc(Oc3[c-]c(C4(c5ccccn5)c5ccccc5Oc5ccccc54)ccc3)[c-]c(-c3nc4ccccc4s3)c2)c(C)c1.Cc1cccc(C)c1-c1cc(Oc2[c-]c(C3(c4ccccn4)c4ccccc4Oc4ccccc43)ccc2)[c-]c(-n2cc(-c3c(C(C)C)cccc3C(C)C)nn2)c1.Cc1cccc(C)c1-c1cc(Oc2[c-]c(C3(c4ccccn4)c4ccccc4Oc4ccccc43)ccc2)[c-]c(-n2cc3c(n2)[C@@H]2CC[C@H]3C2)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].

What is the InChIKey of 4-tert-butyl-2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]pyridine;2-[9-[3-[3-(2,6-dimethylphenyl)-5-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]benzene-6-id-1-yl]oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine;(1R,7S)-4-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-diene;tetrakis(platinum(2+));2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-1,3-benzothiazole?

The InChIKey is NMMOSIYAEKLAOG-ZJAWWXNDSA-N. The full InChI is InChI=1S/C52H44N4O2.C48H40N2O2.C46H35N3O2.C46H32N2O2S.4Pt/c1-33(2)42-20-15-21-43(34(3)4)51(42)46-32-56(55-54-46)39-28-37(50-35(5)16-13-17-36(50)6)29-41(31-39)57-40-19-14-18-38(30-40)52(49-26-11-12-27-53-49)44-22-7-9-24-47(44)58-48-25-10-8-23-45(48)52;1-31-24-32(2)46(33(3)25-31)35-26-34(42-30-36(21-23-49-42)47(4,5)6)27-39(28-35)51-38-15-13-14-37(29-38)48(45-20-11-12-22-50-45)40-16-7-9-18-43(40)52-44-19-10-8-17-41(44)48;1-29-11-9-12-30(2)44(29)33-24-35(49-28-38-31-20-21-32(23-31)45(38)48-49)27-37(25-33)50-36-14-10-13-34(26-36)46(43-19-7-8-22-47-43)39-15-3-5-17-41(39)51-42-18-6-4-16-40(42)46;1-29-23-30(2)44(31(3)24-29)32-25-33(45-48-39-17-6-9-20-42(39)51-45)27-36(26-32)49-35-14-12-13-34(28-35)46(43-21-10-11-22-47-43)37-15-4-7-18-40(37)50-41-19-8-5-16-38(41)46;;;;/h7-29,32-34H,1-6H3;7-26,28,30H,1-6H3;3-19,22,24-25,28,31-32H,20-21,23H2,1-2H3;4-26H,1-3H3;;;;/q4*-2;4*+2/t;;31-,32+;;;;;/m..0...../s1.

What are the key properties of 4-tert-butyl-2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]pyridine;2-[9-[3-[3-(2,6-dimethylphenyl)-5-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]benzene-6-id-1-yl]oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine;(1R,7S)-4-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-diene;tetrakis(platinum(2+));2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-1,3-benzothiazole?

4-tert-butyl-2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]pyridine;2-[9-[3-[3-(2,6-dimethylphenyl)-5-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]benzene-6-id-1-yl]oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine;(1R,7S)-4-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-diene;tetrakis(platinum(2+));2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-1,3-benzothiazole has a molecular weight of 3552.77 g/mol, XLogP of 47.27, 27 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]pyridine;2-[9-[3-[3-(2,6-dimethylphenyl)-5-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]benzene-6-id-1-yl]oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine;(1R,7S)-4-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-diene;tetrakis(platinum(2+));2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-1,3-benzothiazole is sourced from PubChem (CID 157119600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).