5-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-5-[3-[5-[3-[5-(4-methyl-2-pyridinyl)indeno[1,2-c]pyridin-5-yl]phenyl]indeno[1,2-c]pyridin-5-yl]phenyl]indeno[1,2-c]pyridine

C58H40N6 — CID 155614327

About 5-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-5-[3-[5-[3-[5-(4-methyl-2-pyridinyl)indeno[1,2-c]pyridin-5-yl]phenyl]indeno[1,2-c]pyridin-5-yl]phenyl]indeno[1,2-c]pyridine

5-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-5-[3-[5-[3-[5-(4-methyl-2-pyridinyl)indeno[1,2-c]pyridin-5-yl]phenyl]indeno[1,2-c]pyridin-5-yl]phenyl]indeno[1,2-c]pyridine (PubChem CID 155614327) has the molecular formula C58H40N6 and a molecular weight of 821.00 g/mol. Its IUPAC name is 5-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-5-[3-[5-[3-[5-(4-methyl-2-pyridinyl)indeno[1,2-c]pyridin-5-yl]phenyl]indeno[1,2-c]pyridin-5-yl]phenyl]indeno[1,2-c]pyridine.

Molecular Properties

• Compound Name: 5-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-5-[3-[5-[3-[5-(4-methyl-2-pyridinyl)indeno[1,2-c]pyridin-5-yl]phenyl]indeno[1,2-c]pyridin-5-yl]phenyl]indeno[1,2-c]pyridine
• PubChem CID: 155614327
• Molecular Formula: C58H40N6
• Molecular Weight: 821.00 g/mol
• Exact Mass: 820.33
• IUPAC Name: 5-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-5-[3-[5-[3-[5-(4-methyl-2-pyridinyl)indeno[1,2-c]pyridin-5-yl]phenyl]indeno[1,2-c]pyridin-5-yl]phenyl]indeno[1,2-c]pyridine
• SMILES: Cc1ccnc(C2(c3cccc(C4(c5cccc(C6(n7[c-][n+](C)cc7)c7ccccc7-c7cnccc76)c5)c5ccccc5-c5cnccc54)c3)c3ccccc3-c3cnccc32)c1
• InChI: InChI=1S/C58H40N6/c1-38-21-28-62-55(31-38)57(50-19-7-4-16-44(50)47-35-60-26-23-52(47)57)41-13-9-11-39(32-41)56(49-18-6-3-15-43(49)46-34-59-25-22-51(46)56)40-12-10-14-42(33-40)58(64-30-29-63(2)37-64)53-20-8-5-17-45(53)48-36-61-27-24-54(48)58/h3-36H,1-2H3
• InChIKey: PXTBEHYGJPCUIQ-UHFFFAOYSA-N
• XLogP: 10.55
• TPSA: 60.37 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	821.00
LogP ≤ 5	10.55
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-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-5-[3-[5-[3-[5-(4-methyl-2-pyridinyl)indeno[1,2-c]pyridin-5-yl]phenyl]indeno[1,2-c]pyridin-5-yl]phenyl]indeno[1,2-c]pyridine?

The IUPAC name of 5-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-5-[3-[5-[3-[5-(4-methyl-2-pyridinyl)indeno[1,2-c]pyridin-5-yl]phenyl]indeno[1,2-c]pyridin-5-yl]phenyl]indeno[1,2-c]pyridine (CID 155614327) is 5-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-5-[3-[5-[3-[5-(4-methyl-2-pyridinyl)indeno[1,2-c]pyridin-5-yl]phenyl]indeno[1,2-c]pyridin-5-yl]phenyl]indeno[1,2-c]pyridine.

What is the SMILES notation for 5-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-5-[3-[5-[3-[5-(4-methyl-2-pyridinyl)indeno[1,2-c]pyridin-5-yl]phenyl]indeno[1,2-c]pyridin-5-yl]phenyl]indeno[1,2-c]pyridine?

The canonical SMILES for 5-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-5-[3-[5-[3-[5-(4-methyl-2-pyridinyl)indeno[1,2-c]pyridin-5-yl]phenyl]indeno[1,2-c]pyridin-5-yl]phenyl]indeno[1,2-c]pyridine is Cc1ccnc(C2(c3cccc(C4(c5cccc(C6(n7[c-][n+](C)cc7)c7ccccc7-c7cnccc76)c5)c5ccccc5-c5cnccc54)c3)c3ccccc3-c3cnccc32)c1.

What is the InChIKey of 5-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-5-[3-[5-[3-[5-(4-methyl-2-pyridinyl)indeno[1,2-c]pyridin-5-yl]phenyl]indeno[1,2-c]pyridin-5-yl]phenyl]indeno[1,2-c]pyridine?

The InChIKey is PXTBEHYGJPCUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N6/c1-38-21-28-62-55(31-38)57(50-19-7-4-16-44(50)47-35-60-26-23-52(47)57)41-13-9-11-39(32-41)56(49-18-6-3-15-43(49)46-34-59-25-22-51(46)56)40-12-10-14-42(33-40)58(64-30-29-63(2)37-64)53-20-8-5-17-45(53)48-36-61-27-24-54(48)58/h3-36H,1-2H3.

What are the key properties of 5-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-5-[3-[5-[3-[5-(4-methyl-2-pyridinyl)indeno[1,2-c]pyridin-5-yl]phenyl]indeno[1,2-c]pyridin-5-yl]phenyl]indeno[1,2-c]pyridine?

5-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-5-[3-[5-[3-[5-(4-methyl-2-pyridinyl)indeno[1,2-c]pyridin-5-yl]phenyl]indeno[1,2-c]pyridin-5-yl]phenyl]indeno[1,2-c]pyridine has a molecular weight of 821.00 g/mol, XLogP of 10.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-5-[3-[5-[3-[5-(4-methyl-2-pyridinyl)indeno[1,2-c]pyridin-5-yl]phenyl]indeno[1,2-c]pyridin-5-yl]phenyl]indeno[1,2-c]pyridine is sourced from PubChem (CID 155614327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).