2,4-ditert-butyl-6-[2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;platinum

C39H40N3OPt- — CID 154589915

About 2,4-ditert-butyl-6-[2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;platinum

2,4-ditert-butyl-6-[2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;platinum (PubChem CID 154589915) has the molecular formula C39H40N3OPt- and a molecular weight of 761.85 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;platinum
• PubChem CID: 154589915
• Molecular Formula: C39H40N3OPt-
• Molecular Weight: 761.85 g/mol
• Exact Mass: 761.28
• IUPAC Name: 2,4-ditert-butyl-6-[2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;platinum
• SMILES: CC(C)(C)c1cc(-n2c3ccccc3c3ccc(-c4[c-]c(C(C)(C)c5ccccn5)ccc4)nc32)c(O)c(C(C)(C)C)c1.[Pt]
• InChI: InChI=1S/C39H40N3O.Pt/c1-37(2,3)27-23-30(38(4,5)6)35(43)33(24-27)42-32-17-10-9-16-28(32)29-19-20-31(41-36(29)42)25-14-13-15-26(22-25)39(7,8)34-18-11-12-21-40-34;/h9-21,23-24,43H,1-8H3;/q-1
• InChIKey: VEWGDKVFTBKKLH-UHFFFAOYSA-N
• XLogP: 9.66
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	761.85
LogP ≤ 5	9.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;platinum?

The IUPAC name of 2,4-ditert-butyl-6-[2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;platinum (CID 154589915) is 2,4-ditert-butyl-6-[2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;platinum.

What is the SMILES notation for 2,4-ditert-butyl-6-[2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;platinum?

The canonical SMILES for 2,4-ditert-butyl-6-[2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;platinum is CC(C)(C)c1cc(-n2c3ccccc3c3ccc(-c4[c-]c(C(C)(C)c5ccccn5)ccc4)nc32)c(O)c(C(C)(C)C)c1.[Pt].

What is the InChIKey of 2,4-ditert-butyl-6-[2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;platinum?

The InChIKey is VEWGDKVFTBKKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H40N3O.Pt/c1-37(2,3)27-23-30(38(4,5)6)35(43)33(24-27)42-32-17-10-9-16-28(32)29-19-20-31(41-36(29)42)25-14-13-15-26(22-25)39(7,8)34-18-11-12-21-40-34;/h9-21,23-24,43H,1-8H3;/q-1;.

What are the key properties of 2,4-ditert-butyl-6-[2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;platinum?

2,4-ditert-butyl-6-[2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;platinum has a molecular weight of 761.85 g/mol, XLogP of 9.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-ditert-butyl-6-[2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;platinum is sourced from PubChem (CID 154589915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).