2-methyl-3-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)-3H-imidazo[1,5-a]pyridine-2,4-diium

C51H34N2+2 — CID 140962493

About 2-methyl-3-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)-3H-imidazo[1,5-a]pyridine-2,4-diium

2-methyl-3-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)-3H-imidazo[1,5-a]pyridine-2,4-diium (PubChem CID 140962493) has the molecular formula C51H34N2+2 and a molecular weight of 674.85 g/mol. Its IUPAC name is 2-methyl-3-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)-3H-imidazo[1,5-a]pyridine-2,4-diium.

Molecular Properties

• Compound Name: 2-methyl-3-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)-3H-imidazo[1,5-a]pyridine-2,4-diium
• PubChem CID: 140962493
• Molecular Formula: C51H34N2+2
• Molecular Weight: 674.85 g/mol
• Exact Mass: 674.27
• IUPAC Name: 2-methyl-3-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)-3H-imidazo[1,5-a]pyridine-2,4-diium
• SMILES: C[N+]1=Cc2cccc[n+]2C1c1ccc(-c2ccc3c4c(ccc3c2)-c2c(c3ccccc3c3ccccc23)C42c3ccccc3-c3ccccc32)cc1
• InChI: InChI=1S/C51H34N2/c1-52-31-36-12-10-11-29-53(36)50(52)33-23-21-32(22-24-33)34-25-27-37-35(30-34)26-28-44-47-42-17-4-2-13-38(42)39-14-3-5-18-43(39)49(47)51(48(37)44)45-19-8-6-15-40(45)41-16-7-9-20-46(41)51/h2-31,50H,1H3/q+2
• InChIKey: CWFRCSUOUCRDQV-UHFFFAOYSA-N
• XLogP: 11.07
• TPSA: 6.89 Ų
• Rotatable Bonds: 2
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	674.85
LogP ≤ 5	11.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)-3H-imidazo[1,5-a]pyridine-2,4-diium?

The IUPAC name of 2-methyl-3-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)-3H-imidazo[1,5-a]pyridine-2,4-diium (CID 140962493) is 2-methyl-3-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)-3H-imidazo[1,5-a]pyridine-2,4-diium.

What is the SMILES notation for 2-methyl-3-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)-3H-imidazo[1,5-a]pyridine-2,4-diium?

The canonical SMILES for 2-methyl-3-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)-3H-imidazo[1,5-a]pyridine-2,4-diium is C[N+]1=Cc2cccc[n+]2C1c1ccc(-c2ccc3c4c(ccc3c2)-c2c(c3ccccc3c3ccccc23)C42c3ccccc3-c3ccccc32)cc1.

What is the InChIKey of 2-methyl-3-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)-3H-imidazo[1,5-a]pyridine-2,4-diium?

The InChIKey is CWFRCSUOUCRDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N2/c1-52-31-36-12-10-11-29-53(36)50(52)33-23-21-32(22-24-33)34-25-27-37-35(30-34)26-28-44-47-42-17-4-2-13-38(42)39-14-3-5-18-43(39)49(47)51(48(37)44)45-19-8-6-15-40(45)41-16-7-9-20-46(41)51/h2-31,50H,1H3/q+2.

What are the key properties of 2-methyl-3-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)-3H-imidazo[1,5-a]pyridine-2,4-diium?

2-methyl-3-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)-3H-imidazo[1,5-a]pyridine-2,4-diium has a molecular weight of 674.85 g/mol, XLogP of 11.07, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-3-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)-3H-imidazo[1,5-a]pyridine-2,4-diium is sourced from PubChem (CID 140962493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).