1-methyl-3-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide;platinum(4+);pyrido[3,4-b]indol-9-ide

C46H46N8Pt — CID 155650562

About 1-methyl-3-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide;platinum(4+);pyrido[3,4-b]indol-9-ide

1-methyl-3-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide;platinum(4+);pyrido[3,4-b]indol-9-ide (PubChem CID 155650562) has the molecular formula C46H46N8Pt and a molecular weight of 906.01 g/mol. Its IUPAC name is 1-methyl-3-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide;platinum(4+);pyrido[3,4-b]indol-9-ide.

Molecular Properties

• Compound Name: 1-methyl-3-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide;platinum(4+);pyrido[3,4-b]indol-9-ide
• PubChem CID: 155650562
• Molecular Formula: C46H46N8Pt
• Molecular Weight: 906.01 g/mol
• Exact Mass: 905.35
• IUPAC Name: 1-methyl-3-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide;platinum(4+);pyrido[3,4-b]indol-9-ide
• SMILES: CC(C)c1cc(C(C)C)c(-c2cc(N3[CH-]N(C)c4cccnc43)[c-]c(N3[CH-]N(C)c4cccnc43)c2)c(C(C)C)c1.[Pt+4].c1ccc2c(c1)[n-]c1cnccc12
• InChI: InChI=1S/C35H39N6.C11H7N2.Pt/c1-22(2)25-17-29(23(3)4)33(30(18-25)24(5)6)26-15-27(40-20-38(7)31-11-9-13-36-34(31)40)19-28(16-26)41-21-39(8)32-12-10-14-37-35(32)41;1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10;/h9-18,20-24H,1-8H3;1-7H;/q-3;-1;+4
• InChIKey: JDKVKAZFWOLHHE-UHFFFAOYSA-N
• XLogP: 11.07
• TPSA: 65.73 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	906.01
LogP ≤ 5	11.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide;platinum(4+);pyrido[3,4-b]indol-9-ide?

The IUPAC name of 1-methyl-3-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide;platinum(4+);pyrido[3,4-b]indol-9-ide (CID 155650562) is 1-methyl-3-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide;platinum(4+);pyrido[3,4-b]indol-9-ide.

What is the SMILES notation for 1-methyl-3-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide;platinum(4+);pyrido[3,4-b]indol-9-ide?

The canonical SMILES for 1-methyl-3-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide;platinum(4+);pyrido[3,4-b]indol-9-ide is CC(C)c1cc(C(C)C)c(-c2cc(N3[CH-]N(C)c4cccnc43)[c-]c(N3[CH-]N(C)c4cccnc43)c2)c(C(C)C)c1.[Pt+4].c1ccc2c(c1)[n-]c1cnccc12.

What is the InChIKey of 1-methyl-3-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide;platinum(4+);pyrido[3,4-b]indol-9-ide?

The InChIKey is JDKVKAZFWOLHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H39N6.C11H7N2.Pt/c1-22(2)25-17-29(23(3)4)33(30(18-25)24(5)6)26-15-27(40-20-38(7)31-11-9-13-36-34(31)40)19-28(16-26)41-21-39(8)32-12-10-14-37-35(32)41;1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10;/h9-18,20-24H,1-8H3;1-7H;/q-3;-1;+4.

What are the key properties of 1-methyl-3-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide;platinum(4+);pyrido[3,4-b]indol-9-ide?

1-methyl-3-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide;platinum(4+);pyrido[3,4-b]indol-9-ide has a molecular weight of 906.01 g/mol, XLogP of 11.07, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-3-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide;platinum(4+);pyrido[3,4-b]indol-9-ide is sourced from PubChem (CID 155650562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).