2-[3,6-ditert-butyl-2-[4-phenyl-6-(N-phenylanilino)-2-pyridinyl]pyrido[2,3-b]indol-9-yl]phenol;2,4-ditert-butyl-6-[2-[4-phenyl-6-(N-phenylanilino)-2-pyridinyl]pyrido[2,3-b]indol-9-yl]phenol;platinum

C96H86N8O2Pt2-2 — CID 158783290

About 2-[3,6-ditert-butyl-2-[4-phenyl-6-(N-phenylanilino)-2-pyridinyl]pyrido[2,3-b]indol-9-yl]phenol;2,4-ditert-butyl-6-[2-[4-phenyl-6-(N-phenylanilino)-2-pyridinyl]pyrido[2,3-b]indol-9-yl]phenol;platinum

2-[3,6-ditert-butyl-2-[4-phenyl-6-(N-phenylanilino)-2-pyridinyl]pyrido[2,3-b]indol-9-yl]phenol;2,4-ditert-butyl-6-[2-[4-phenyl-6-(N-phenylanilino)-2-pyridinyl]pyrido[2,3-b]indol-9-yl]phenol;platinum (PubChem CID 158783290) has the molecular formula C96H86N8O2Pt2-2 and a molecular weight of 1773.95 g/mol. Its IUPAC name is 2-[3,6-ditert-butyl-2-[4-phenyl-6-(N-phenylanilino)-2-pyridinyl]pyrido[2,3-b]indol-9-yl]phenol;2,4-ditert-butyl-6-[2-[4-phenyl-6-(N-phenylanilino)-2-pyridinyl]pyrido[2,3-b]indol-9-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[3,6-ditert-butyl-2-[4-phenyl-6-(N-phenylanilino)-2-pyridinyl]pyrido[2,3-b]indol-9-yl]phenol;2,4-ditert-butyl-6-[2-[4-phenyl-6-(N-phenylanilino)-2-pyridinyl]pyrido[2,3-b]indol-9-yl]phenol;platinum
• PubChem CID: 158783290
• Molecular Formula: C96H86N8O2Pt2-2
• Molecular Weight: 1773.95 g/mol
• Exact Mass: 1772.62
• IUPAC Name: 2-[3,6-ditert-butyl-2-[4-phenyl-6-(N-phenylanilino)-2-pyridinyl]pyrido[2,3-b]indol-9-yl]phenol;2,4-ditert-butyl-6-[2-[4-phenyl-6-(N-phenylanilino)-2-pyridinyl]pyrido[2,3-b]indol-9-yl]phenol;platinum
• SMILES: CC(C)(C)c1cc(-n2c3ccccc3c3ccc(-c4cc(-c5ccccc5)cc(N(c5[c-]cccc5)c5ccccc5)n4)nc32)c(O)c(C(C)(C)C)c1.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)c(-c3cc(-c4ccccc4)cc(N(c4[c-]cccc4)c4ccccc4)n3)nc1n2-c1ccccc1O.[Pt].[Pt]
• InChI: InChI=1S/2C48H43N4O.2Pt/c1-47(2,3)34-30-39(48(4,5)6)45(53)43(31-34)52-42-25-17-16-24-37(42)38-26-27-40(50-46(38)52)41-28-33(32-18-10-7-11-19-32)29-44(49-41)51(35-20-12-8-13-21-35)36-22-14-9-15-23-36;1-47(2,3)34-26-27-41-37(30-34)38-31-39(48(4,5)6)45(50-46(38)52(41)42-24-16-17-25-43(42)53)40-28-33(32-18-10-7-11-19-32)29-44(49-40)51(35-20-12-8-13-21-35)36-22-14-9-15-23-36;;/h2*7-22,24-31,53H,1-6H3;;/q2*-1
• InChIKey: YKLWPDXVNUMVIL-UHFFFAOYSA-N
• XLogP: 24.95
• TPSA: 108.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1773.95
LogP ≤ 5	24.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3,6-ditert-butyl-2-[4-phenyl-6-(N-phenylanilino)-2-pyridinyl]pyrido[2,3-b]indol-9-yl]phenol;2,4-ditert-butyl-6-[2-[4-phenyl-6-(N-phenylanilino)-2-pyridinyl]pyrido[2,3-b]indol-9-yl]phenol;platinum?

The IUPAC name of 2-[3,6-ditert-butyl-2-[4-phenyl-6-(N-phenylanilino)-2-pyridinyl]pyrido[2,3-b]indol-9-yl]phenol;2,4-ditert-butyl-6-[2-[4-phenyl-6-(N-phenylanilino)-2-pyridinyl]pyrido[2,3-b]indol-9-yl]phenol;platinum (CID 158783290) is 2-[3,6-ditert-butyl-2-[4-phenyl-6-(N-phenylanilino)-2-pyridinyl]pyrido[2,3-b]indol-9-yl]phenol;2,4-ditert-butyl-6-[2-[4-phenyl-6-(N-phenylanilino)-2-pyridinyl]pyrido[2,3-b]indol-9-yl]phenol;platinum.

What is the SMILES notation for 2-[3,6-ditert-butyl-2-[4-phenyl-6-(N-phenylanilino)-2-pyridinyl]pyrido[2,3-b]indol-9-yl]phenol;2,4-ditert-butyl-6-[2-[4-phenyl-6-(N-phenylanilino)-2-pyridinyl]pyrido[2,3-b]indol-9-yl]phenol;platinum?

The canonical SMILES for 2-[3,6-ditert-butyl-2-[4-phenyl-6-(N-phenylanilino)-2-pyridinyl]pyrido[2,3-b]indol-9-yl]phenol;2,4-ditert-butyl-6-[2-[4-phenyl-6-(N-phenylanilino)-2-pyridinyl]pyrido[2,3-b]indol-9-yl]phenol;platinum is CC(C)(C)c1cc(-n2c3ccccc3c3ccc(-c4cc(-c5ccccc5)cc(N(c5[c-]cccc5)c5ccccc5)n4)nc32)c(O)c(C(C)(C)C)c1.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)c(-c3cc(-c4ccccc4)cc(N(c4[c-]cccc4)c4ccccc4)n3)nc1n2-c1ccccc1O.[Pt].[Pt].

What is the InChIKey of 2-[3,6-ditert-butyl-2-[4-phenyl-6-(N-phenylanilino)-2-pyridinyl]pyrido[2,3-b]indol-9-yl]phenol;2,4-ditert-butyl-6-[2-[4-phenyl-6-(N-phenylanilino)-2-pyridinyl]pyrido[2,3-b]indol-9-yl]phenol;platinum?

The InChIKey is YKLWPDXVNUMVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C48H43N4O.2Pt/c1-47(2,3)34-30-39(48(4,5)6)45(53)43(31-34)52-42-25-17-16-24-37(42)38-26-27-40(50-46(38)52)41-28-33(32-18-10-7-11-19-32)29-44(49-41)51(35-20-12-8-13-21-35)36-22-14-9-15-23-36;1-47(2,3)34-26-27-41-37(30-34)38-31-39(48(4,5)6)45(50-46(38)52(41)42-24-16-17-25-43(42)53)40-28-33(32-18-10-7-11-19-32)29-44(49-40)51(35-20-12-8-13-21-35)36-22-14-9-15-23-36;;/h2*7-22,24-31,53H,1-6H3;;/q2*-1;;.

What are the key properties of 2-[3,6-ditert-butyl-2-[4-phenyl-6-(N-phenylanilino)-2-pyridinyl]pyrido[2,3-b]indol-9-yl]phenol;2,4-ditert-butyl-6-[2-[4-phenyl-6-(N-phenylanilino)-2-pyridinyl]pyrido[2,3-b]indol-9-yl]phenol;platinum?

2-[3,6-ditert-butyl-2-[4-phenyl-6-(N-phenylanilino)-2-pyridinyl]pyrido[2,3-b]indol-9-yl]phenol;2,4-ditert-butyl-6-[2-[4-phenyl-6-(N-phenylanilino)-2-pyridinyl]pyrido[2,3-b]indol-9-yl]phenol;platinum has a molecular weight of 1773.95 g/mol, XLogP of 24.95, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,6-ditert-butyl-2-[4-phenyl-6-(N-phenylanilino)-2-pyridinyl]pyrido[2,3-b]indol-9-yl]phenol;2,4-ditert-butyl-6-[2-[4-phenyl-6-(N-phenylanilino)-2-pyridinyl]pyrido[2,3-b]indol-9-yl]phenol;platinum is sourced from PubChem (CID 158783290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).