6-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-11,11-dimethyl-5H-imidazo[1,2-c][1,3]benzodiazepin-4-ium-5-ide;platinum

C40H33N5OPt-2 — CID 170930477

About 6-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-11,11-dimethyl-5H-imidazo[1,2-c][1,3]benzodiazepin-4-ium-5-ide;platinum

6-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-11,11-dimethyl-5H-imidazo[1,2-c][1,3]benzodiazepin-4-ium-5-ide;platinum (PubChem CID 170930477) has the molecular formula C40H33N5OPt-2 and a molecular weight of 794.82 g/mol. Its IUPAC name is 6-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-11,11-dimethyl-5H-imidazo[1,2-c][1,3]benzodiazepin-4-ium-5-ide;platinum.

Molecular Properties

• Compound Name: 6-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-11,11-dimethyl-5H-imidazo[1,2-c][1,3]benzodiazepin-4-ium-5-ide;platinum
• PubChem CID: 170930477
• Molecular Formula: C40H33N5OPt-2
• Molecular Weight: 794.82 g/mol
• Exact Mass: 794.23
• IUPAC Name: 6-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-11,11-dimethyl-5H-imidazo[1,2-c][1,3]benzodiazepin-4-ium-5-ide;platinum
• SMILES: CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[C-]=[N+]6C=CN=C6C(C)(C)c6ccccc65)ccc4)ccc3c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C40H33N5O.Pt/c1-39(2,3)27-19-20-41-37(23-27)45-34-15-8-6-13-31(34)32-18-17-30(25-36(32)45)46-29-12-10-11-28(24-29)44-26-43-22-21-42-38(43)40(4,5)33-14-7-9-16-35(33)44;/h6-23H,1-5H3;/q-2
• InChIKey: VIXPLMMIJCWWRA-UHFFFAOYSA-N
• XLogP: 9.10
• TPSA: 45.66 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	794.82
LogP ≤ 5	9.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-11,11-dimethyl-5H-imidazo[1,2-c][1,3]benzodiazepin-4-ium-5-ide;platinum?

The IUPAC name of 6-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-11,11-dimethyl-5H-imidazo[1,2-c][1,3]benzodiazepin-4-ium-5-ide;platinum (CID 170930477) is 6-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-11,11-dimethyl-5H-imidazo[1,2-c][1,3]benzodiazepin-4-ium-5-ide;platinum.

What is the SMILES notation for 6-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-11,11-dimethyl-5H-imidazo[1,2-c][1,3]benzodiazepin-4-ium-5-ide;platinum?

The canonical SMILES for 6-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-11,11-dimethyl-5H-imidazo[1,2-c][1,3]benzodiazepin-4-ium-5-ide;platinum is CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[C-]=[N+]6C=CN=C6C(C)(C)c6ccccc65)ccc4)ccc3c3ccccc32)c1.[Pt].

What is the InChIKey of 6-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-11,11-dimethyl-5H-imidazo[1,2-c][1,3]benzodiazepin-4-ium-5-ide;platinum?

The InChIKey is VIXPLMMIJCWWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H33N5O.Pt/c1-39(2,3)27-19-20-41-37(23-27)45-34-15-8-6-13-31(34)32-18-17-30(25-36(32)45)46-29-12-10-11-28(24-29)44-26-43-22-21-42-38(43)40(4,5)33-14-7-9-16-35(33)44;/h6-23H,1-5H3;/q-2;.

What are the key properties of 6-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-11,11-dimethyl-5H-imidazo[1,2-c][1,3]benzodiazepin-4-ium-5-ide;platinum?

6-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-11,11-dimethyl-5H-imidazo[1,2-c][1,3]benzodiazepin-4-ium-5-ide;platinum has a molecular weight of 794.82 g/mol, XLogP of 9.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-11,11-dimethyl-5H-imidazo[1,2-c][1,3]benzodiazepin-4-ium-5-ide;platinum is sourced from PubChem (CID 170930477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).