2,4-ditert-butyl-6-[9-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]pyrido[2,3-b]indol-2-yl]benzenethiolate;2,4-ditert-butyl-6-[9-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]pyrido[2,3-b]indol-2-yl]benzenethiolate;2,4-ditert-butyl-6-[9-[3-(4-tert-butyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]pyrido[2,3-b]indol-2-yl]benzenethiolate;tris(platinum(2+))

C136H139N9Pt3S3 — CID 159141977

About 2,4-ditert-butyl-6-[9-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]pyrido[2,3-b]indol-2-yl]benzenethiolate;2,4-ditert-butyl-6-[9-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]pyrido[2,3-b]indol-2-yl]benzenethiolate;2,4-ditert-butyl-6-[9-[3-(4-tert-butyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]pyrido[2,3-b]indol-2-yl]benzenethiolate;tris(platinum(2+))

2,4-ditert-butyl-6-[9-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]pyrido[2,3-b]indol-2-yl]benzenethiolate;2,4-ditert-butyl-6-[9-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]pyrido[2,3-b]indol-2-yl]benzenethiolate;2,4-ditert-butyl-6-[9-[3-(4-tert-butyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]pyrido[2,3-b]indol-2-yl]benzenethiolate;tris(platinum(2+)) (PubChem CID 159141977) has the molecular formula C136H139N9Pt3S3 and a molecular weight of 2581.11 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[9-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]pyrido[2,3-b]indol-2-yl]benzenethiolate;2,4-ditert-butyl-6-[9-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]pyrido[2,3-b]indol-2-yl]benzenethiolate;2,4-ditert-butyl-6-[9-[3-(4-tert-butyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]pyrido[2,3-b]indol-2-yl]benzenethiolate;tris(platinum(2+)).

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[9-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]pyrido[2,3-b]indol-2-yl]benzenethiolate;2,4-ditert-butyl-6-[9-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]pyrido[2,3-b]indol-2-yl]benzenethiolate;2,4-ditert-butyl-6-[9-[3-(4-tert-butyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]pyrido[2,3-b]indol-2-yl]benzenethiolate;tris(platinum(2+))
• PubChem CID: 159141977
• Molecular Formula: C136H139N9Pt3S3
• Molecular Weight: 2581.11 g/mol
• Exact Mass: 2578.93
• IUPAC Name: 2,4-ditert-butyl-6-[9-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]pyrido[2,3-b]indol-2-yl]benzenethiolate;2,4-ditert-butyl-6-[9-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]pyrido[2,3-b]indol-2-yl]benzenethiolate;2,4-ditert-butyl-6-[9-[3-(4-tert-butyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]pyrido[2,3-b]indol-2-yl]benzenethiolate;tris(platinum(2+))
• SMILES: CC(C)(C)c1cc(-c2cc(-c3ccccc3)ccn2)[c-]c(-n2c3ccccc3c3ccc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4[S-])nc32)c1.CC(C)(C)c1cc(-c2cc(C(C)(C)C)ccn2)[c-]c(-n2c3ccccc3c3ccc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4[S-])nc32)c1.CC(C)(C)c1ccnc(-c2[c-]c(-n3c4ccccc4c4ccc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5[S-])nc43)cc(-c3ccccc3)c2)c1.[Pt+2].[Pt+2].[Pt+2]
• InChI: InChI=1S/2C46H46N3S.C44H50N3S.3Pt/c1-44(2,3)32-21-22-47-40(28-32)31-23-30(29-15-11-10-12-16-29)24-34(25-31)49-41-18-14-13-17-35(41)36-19-20-39(48-43(36)49)37-26-33(45(4,5)6)27-38(42(37)50)46(7,8)9;1-44(2,3)32-23-31(40-25-30(21-22-47-40)29-15-11-10-12-16-29)24-34(26-32)49-41-18-14-13-17-35(41)36-19-20-39(48-43(36)49)37-27-33(45(4,5)6)28-38(42(37)50)46(7,8)9;1-41(2,3)28-19-20-45-37(26-28)27-21-29(42(4,5)6)23-31(22-27)47-38-16-14-13-15-32(38)33-17-18-36(46-40(33)47)34-24-30(43(7,8)9)25-35(39(34)48)44(10,11)12;;;/h10-24,26-28,50H,1-9H3;10-23,25-28,50H,1-9H3;13-21,23-26,48H,1-12H3;;;/q3*-1;3*+2/p-3
• InChIKey: OCYPOHMPIFUUNX-UHFFFAOYSA-K
• XLogP: 36.14
• TPSA: 92.13 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2581.11
LogP ≤ 5	36.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[9-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]pyrido[2,3-b]indol-2-yl]benzenethiolate;2,4-ditert-butyl-6-[9-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]pyrido[2,3-b]indol-2-yl]benzenethiolate;2,4-ditert-butyl-6-[9-[3-(4-tert-butyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]pyrido[2,3-b]indol-2-yl]benzenethiolate;tris(platinum(2+))?

The IUPAC name of 2,4-ditert-butyl-6-[9-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]pyrido[2,3-b]indol-2-yl]benzenethiolate;2,4-ditert-butyl-6-[9-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]pyrido[2,3-b]indol-2-yl]benzenethiolate;2,4-ditert-butyl-6-[9-[3-(4-tert-butyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]pyrido[2,3-b]indol-2-yl]benzenethiolate;tris(platinum(2+)) (CID 159141977) is 2,4-ditert-butyl-6-[9-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]pyrido[2,3-b]indol-2-yl]benzenethiolate;2,4-ditert-butyl-6-[9-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]pyrido[2,3-b]indol-2-yl]benzenethiolate;2,4-ditert-butyl-6-[9-[3-(4-tert-butyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]pyrido[2,3-b]indol-2-yl]benzenethiolate;tris(platinum(2+)).

What is the SMILES notation for 2,4-ditert-butyl-6-[9-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]pyrido[2,3-b]indol-2-yl]benzenethiolate;2,4-ditert-butyl-6-[9-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]pyrido[2,3-b]indol-2-yl]benzenethiolate;2,4-ditert-butyl-6-[9-[3-(4-tert-butyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]pyrido[2,3-b]indol-2-yl]benzenethiolate;tris(platinum(2+))?

The canonical SMILES for 2,4-ditert-butyl-6-[9-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]pyrido[2,3-b]indol-2-yl]benzenethiolate;2,4-ditert-butyl-6-[9-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]pyrido[2,3-b]indol-2-yl]benzenethiolate;2,4-ditert-butyl-6-[9-[3-(4-tert-butyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]pyrido[2,3-b]indol-2-yl]benzenethiolate;tris(platinum(2+)) is CC(C)(C)c1cc(-c2cc(-c3ccccc3)ccn2)[c-]c(-n2c3ccccc3c3ccc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4[S-])nc32)c1.CC(C)(C)c1cc(-c2cc(C(C)(C)C)ccn2)[c-]c(-n2c3ccccc3c3ccc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4[S-])nc32)c1.CC(C)(C)c1ccnc(-c2[c-]c(-n3c4ccccc4c4ccc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5[S-])nc43)cc(-c3ccccc3)c2)c1.[Pt+2].[Pt+2].[Pt+2].

What is the InChIKey of 2,4-ditert-butyl-6-[9-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]pyrido[2,3-b]indol-2-yl]benzenethiolate;2,4-ditert-butyl-6-[9-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]pyrido[2,3-b]indol-2-yl]benzenethiolate;2,4-ditert-butyl-6-[9-[3-(4-tert-butyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]pyrido[2,3-b]indol-2-yl]benzenethiolate;tris(platinum(2+))?

The InChIKey is OCYPOHMPIFUUNX-UHFFFAOYSA-K. The full InChI is InChI=1S/2C46H46N3S.C44H50N3S.3Pt/c1-44(2,3)32-21-22-47-40(28-32)31-23-30(29-15-11-10-12-16-29)24-34(25-31)49-41-18-14-13-17-35(41)36-19-20-39(48-43(36)49)37-26-33(45(4,5)6)27-38(42(37)50)46(7,8)9;1-44(2,3)32-23-31(40-25-30(21-22-47-40)29-15-11-10-12-16-29)24-34(26-32)49-41-18-14-13-17-35(41)36-19-20-39(48-43(36)49)37-27-33(45(4,5)6)28-38(42(37)50)46(7,8)9;1-41(2,3)28-19-20-45-37(26-28)27-21-29(42(4,5)6)23-31(22-27)47-38-16-14-13-15-32(38)33-17-18-36(46-40(33)47)34-24-30(43(7,8)9)25-35(39(34)48)44(10,11)12;;;/h10-24,26-28,50H,1-9H3;10-23,25-28,50H,1-9H3;13-21,23-26,48H,1-12H3;;;/q3*-1;3*+2/p-3.

What are the key properties of 2,4-ditert-butyl-6-[9-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]pyrido[2,3-b]indol-2-yl]benzenethiolate;2,4-ditert-butyl-6-[9-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]pyrido[2,3-b]indol-2-yl]benzenethiolate;2,4-ditert-butyl-6-[9-[3-(4-tert-butyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]pyrido[2,3-b]indol-2-yl]benzenethiolate;tris(platinum(2+))?

2,4-ditert-butyl-6-[9-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]pyrido[2,3-b]indol-2-yl]benzenethiolate;2,4-ditert-butyl-6-[9-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]pyrido[2,3-b]indol-2-yl]benzenethiolate;2,4-ditert-butyl-6-[9-[3-(4-tert-butyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]pyrido[2,3-b]indol-2-yl]benzenethiolate;tris(platinum(2+)) has a molecular weight of 2581.11 g/mol, XLogP of 36.14, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-ditert-butyl-6-[9-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]pyrido[2,3-b]indol-2-yl]benzenethiolate;2,4-ditert-butyl-6-[9-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]pyrido[2,3-b]indol-2-yl]benzenethiolate;2,4-ditert-butyl-6-[9-[3-(4-tert-butyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]pyrido[2,3-b]indol-2-yl]benzenethiolate;tris(platinum(2+)) is sourced from PubChem (CID 159141977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).