5,5-dimethyl-1-[2-[3-[3-(9-phenylcarbazol-1-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]indeno[1,2-c]pyridine;platinum

C57H37N5OPt-2 — CID 162460832

About 5,5-dimethyl-1-[2-[3-[3-(9-phenylcarbazol-1-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]indeno[1,2-c]pyridine;platinum

5,5-dimethyl-1-[2-[3-[3-(9-phenylcarbazol-1-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]indeno[1,2-c]pyridine;platinum (PubChem CID 162460832) has the molecular formula C57H37N5OPt-2 and a molecular weight of 1003.04 g/mol. Its IUPAC name is 5,5-dimethyl-1-[2-[3-[3-(9-phenylcarbazol-1-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]indeno[1,2-c]pyridine;platinum.

Molecular Properties

• Compound Name: 5,5-dimethyl-1-[2-[3-[3-(9-phenylcarbazol-1-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]indeno[1,2-c]pyridine;platinum
• PubChem CID: 162460832
• Molecular Formula: C57H37N5OPt-2
• Molecular Weight: 1003.04 g/mol
• Exact Mass: 1002.27
• IUPAC Name: 5,5-dimethyl-1-[2-[3-[3-(9-phenylcarbazol-1-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]indeno[1,2-c]pyridine;platinum
• SMILES: CC1(C)c2ccccc2-c2c1ccnc2-n1c2[c-]c(Oc3[c-]c(-n4[c-][n+](-c5cccc6c7ccccc7n(-c7ccccc7)c56)c5ccccc54)ccc3)ccc2c2ccccc21.[Pt]
• InChI: InChI=1S/C57H37N5O.Pt/c1-57(2)46-24-9-6-22-45(46)54-47(57)32-33-58-56(54)62-49-26-11-7-20-41(49)43-31-30-40(35-53(43)62)63-39-19-14-18-38(34-39)59-36-60(51-28-13-12-27-50(51)59)52-29-15-23-44-42-21-8-10-25-48(42)61(55(44)52)37-16-4-3-5-17-37;/h3-33H,1-2H3;/q-2
• InChIKey: OZQSKTLFPJRFCB-UHFFFAOYSA-N
• XLogP: 12.99
• TPSA: 40.79 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1003.04
LogP ≤ 5	12.99
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 5,5-dimethyl-1-[2-[3-[3-(9-phenylcarbazol-1-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]indeno[1,2-c]pyridine;platinum?

The IUPAC name of 5,5-dimethyl-1-[2-[3-[3-(9-phenylcarbazol-1-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]indeno[1,2-c]pyridine;platinum (CID 162460832) is 5,5-dimethyl-1-[2-[3-[3-(9-phenylcarbazol-1-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]indeno[1,2-c]pyridine;platinum.

What is the SMILES notation for 5,5-dimethyl-1-[2-[3-[3-(9-phenylcarbazol-1-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]indeno[1,2-c]pyridine;platinum?

The canonical SMILES for 5,5-dimethyl-1-[2-[3-[3-(9-phenylcarbazol-1-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]indeno[1,2-c]pyridine;platinum is CC1(C)c2ccccc2-c2c1ccnc2-n1c2[c-]c(Oc3[c-]c(-n4[c-][n+](-c5cccc6c7ccccc7n(-c7ccccc7)c56)c5ccccc54)ccc3)ccc2c2ccccc21.[Pt].

What is the InChIKey of 5,5-dimethyl-1-[2-[3-[3-(9-phenylcarbazol-1-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]indeno[1,2-c]pyridine;platinum?

The InChIKey is OZQSKTLFPJRFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N5O.Pt/c1-57(2)46-24-9-6-22-45(46)54-47(57)32-33-58-56(54)62-49-26-11-7-20-41(49)43-31-30-40(35-53(43)62)63-39-19-14-18-38(34-39)59-36-60(51-28-13-12-27-50(51)59)52-29-15-23-44-42-21-8-10-25-48(42)61(55(44)52)37-16-4-3-5-17-37;/h3-33H,1-2H3;/q-2;.

What are the key properties of 5,5-dimethyl-1-[2-[3-[3-(9-phenylcarbazol-1-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]indeno[1,2-c]pyridine;platinum?

5,5-dimethyl-1-[2-[3-[3-(9-phenylcarbazol-1-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]indeno[1,2-c]pyridine;platinum has a molecular weight of 1003.04 g/mol, XLogP of 12.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5,5-dimethyl-1-[2-[3-[3-(9-phenylcarbazol-1-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]indeno[1,2-c]pyridine;platinum is sourced from PubChem (CID 162460832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).