hexalithium;benzo[f]quinolin-4-ium-5-olate;6H-isoquinolino[2,1-c][1,3]benzoxazin-7-ium;bis(11-methyl-3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene);2-methyl-1-pyridin-1-ium-2-ylprop-1-en-1-olate;2-methylquinolin-1-ium-8-olate;21-oxa-4-aza-1-azoniapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19-decaene;2-phenanthridin-5-ium-6-ylphenolate;quinolin-1-ium-8-olate;2-quinolin-1-ium-2-ylphenolate;6H-quinolino[1,2-c][1,2,3]benzoxadiazin-5-ium

C147H116Li6N13O11+11 — CID 157485358

About hexalithium;benzo[f]quinolin-4-ium-5-olate;6H-isoquinolino[2,1-c][1,3]benzoxazin-7-ium;bis(11-methyl-3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene);2-methyl-1-pyridin-1-ium-2-ylprop-1-en-1-olate;2-methylquinolin-1-ium-8-olate;21-oxa-4-aza-1-azoniapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19-decaene;2-phenanthridin-5-ium-6-ylphenolate;quinolin-1-ium-8-olate;2-quinolin-1-ium-2-ylphenolate;6H-quinolino[1,2-c][1,2,3]benzoxadiazin-5-ium

hexalithium;benzo[f]quinolin-4-ium-5-olate;6H-isoquinolino[2,1-c][1,3]benzoxazin-7-ium;bis(11-methyl-3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene);2-methyl-1-pyridin-1-ium-2-ylprop-1-en-1-olate;2-methylquinolin-1-ium-8-olate;21-oxa-4-aza-1-azoniapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19-decaene;2-phenanthridin-5-ium-6-ylphenolate;quinolin-1-ium-8-olate;2-quinolin-1-ium-2-ylphenolate;6H-quinolino[1,2-c][1,2,3]benzoxadiazin-5-ium (PubChem CID 157485358) has the molecular formula C147H116Li6N13O11+11 and a molecular weight of 2282.27 g/mol. Its IUPAC name is hexalithium;benzo[f]quinolin-4-ium-5-olate;6H-isoquinolino[2,1-c][1,3]benzoxazin-7-ium;bis(11-methyl-3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene);2-methyl-1-pyridin-1-ium-2-ylprop-1-en-1-olate;2-methylquinolin-1-ium-8-olate;21-oxa-4-aza-1-azoniapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19-decaene;2-phenanthridin-5-ium-6-ylphenolate;quinolin-1-ium-8-olate;2-quinolin-1-ium-2-ylphenolate;6H-quinolino[1,2-c][1,2,3]benzoxadiazin-5-ium.

Molecular Properties

• Compound Name: hexalithium;benzo[f]quinolin-4-ium-5-olate;6H-isoquinolino[2,1-c][1,3]benzoxazin-7-ium;bis(11-methyl-3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene);2-methyl-1-pyridin-1-ium-2-ylprop-1-en-1-olate;2-methylquinolin-1-ium-8-olate;21-oxa-4-aza-1-azoniapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19-decaene;2-phenanthridin-5-ium-6-ylphenolate;quinolin-1-ium-8-olate;2-quinolin-1-ium-2-ylphenolate;6H-quinolino[1,2-c][1,2,3]benzoxadiazin-5-ium
• PubChem CID: 157485358
• Molecular Formula: C147H116Li6N13O11+11
• Molecular Weight: 2282.27 g/mol
• Exact Mass: 2280.98
• IUPAC Name: hexalithium;benzo[f]quinolin-4-ium-5-olate;6H-isoquinolino[2,1-c][1,3]benzoxazin-7-ium;bis(11-methyl-3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene);2-methyl-1-pyridin-1-ium-2-ylprop-1-en-1-olate;2-methylquinolin-1-ium-8-olate;21-oxa-4-aza-1-azoniapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19-decaene;2-phenanthridin-5-ium-6-ylphenolate;quinolin-1-ium-8-olate;2-quinolin-1-ium-2-ylphenolate;6H-quinolino[1,2-c][1,2,3]benzoxadiazin-5-ium
• SMILES: CC(C)=C([O-])c1cccc[nH+]1.Cc1ccc2cccc([O-])c2[nH+]1.Cc1ccc2cccc3c2[n+]1CO3.Cc1ccc2cccc3c2[n+]1CO3.[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[O-]c1cc2ccccc2c2ccc[nH+]c12.[O-]c1cccc2ccc[nH+]c12.[O-]c1ccccc1-c1[nH+]c2ccccc2c2ccccc12.[O-]c1ccccc1-c1ccc2ccccc2[nH+]1.c1ccc2c(c1)OC[n+]1c-2ccc2ccc3cccnc3c21.c1ccc2c(c1)OC[n+]1ccc3ccccc3c1-2.c1ccc2c(c1)ON[n+]1c-2ccc2ccccc21
• InChI: InChI=1S/C19H13N2O.C19H13NO.C16H12NO.C15H11N2O.C15H11NO.C13H9NO.2C11H10NO.C10H9NO.C9H7NO.C9H11NO.6Li/c1-2-6-17-15(5-1)16-10-9-14-8-7-13-4-3-11-20-18(13)19(14)21(16)12-22-17;21-18-12-6-4-10-16(18)19-15-9-2-1-7-13(15)14-8-3-5-11-17(14)20-19;1-2-6-13-12(5-1)9-10-17-11-18-15-8-4-3-7-14(15)16(13)17;1-3-7-13-11(5-1)9-10-14-12-6-2-4-8-15(12)18-16-17(13)14;17-15-8-4-2-6-12(15)14-10-9-11-5-1-3-7-13(11)16-14;15-12-8-9-4-1-2-5-10(9)11-6-3-7-14-13(11)12;2*1-8-5-6-9-3-2-4-10-11(9)12(8)7-13-10;1-7-5-6-8-3-2-4-9(12)10(8)11-7;11-8-5-1-3-7-4-2-6-10-9(7)8;1-7(2)9(11)8-5-3-4-6-10-8;;;;;;/h1-11H,12H2;1-12,21H;1-10H,11H2;1-10,16H;1-10,17H;1-8,15H;2*2-6H,7H2,1H3;2-6,12H,1H3;1-6,11H;3-6,11H,1-2H3;;;;;;/q+1;;2*+1;;;2*+1;;;;6*+1
• InChIKey: PVOKSAOYPNLBNB-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 313.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 3
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2282.27
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 hexalithium;benzo[f]quinolin-4-ium-5-olate;6H-isoquinolino[2,1-c][1,3]benzoxazin-7-ium;bis(11-methyl-3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene);2-methyl-1-pyridin-1-ium-2-ylprop-1-en-1-olate;2-methylquinolin-1-ium-8-olate;21-oxa-4-aza-1-azoniapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19-decaene;2-phenanthridin-5-ium-6-ylphenolate;quinolin-1-ium-8-olate;2-quinolin-1-ium-2-ylphenolate;6H-quinolino[1,2-c][1,2,3]benzoxadiazin-5-ium?

The IUPAC name of hexalithium;benzo[f]quinolin-4-ium-5-olate;6H-isoquinolino[2,1-c][1,3]benzoxazin-7-ium;bis(11-methyl-3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene);2-methyl-1-pyridin-1-ium-2-ylprop-1-en-1-olate;2-methylquinolin-1-ium-8-olate;21-oxa-4-aza-1-azoniapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19-decaene;2-phenanthridin-5-ium-6-ylphenolate;quinolin-1-ium-8-olate;2-quinolin-1-ium-2-ylphenolate;6H-quinolino[1,2-c][1,2,3]benzoxadiazin-5-ium (CID 157485358) is hexalithium;benzo[f]quinolin-4-ium-5-olate;6H-isoquinolino[2,1-c][1,3]benzoxazin-7-ium;bis(11-methyl-3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene);2-methyl-1-pyridin-1-ium-2-ylprop-1-en-1-olate;2-methylquinolin-1-ium-8-olate;21-oxa-4-aza-1-azoniapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19-decaene;2-phenanthridin-5-ium-6-ylphenolate;quinolin-1-ium-8-olate;2-quinolin-1-ium-2-ylphenolate;6H-quinolino[1,2-c][1,2,3]benzoxadiazin-5-ium.

What is the SMILES notation for hexalithium;benzo[f]quinolin-4-ium-5-olate;6H-isoquinolino[2,1-c][1,3]benzoxazin-7-ium;bis(11-methyl-3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene);2-methyl-1-pyridin-1-ium-2-ylprop-1-en-1-olate;2-methylquinolin-1-ium-8-olate;21-oxa-4-aza-1-azoniapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19-decaene;2-phenanthridin-5-ium-6-ylphenolate;quinolin-1-ium-8-olate;2-quinolin-1-ium-2-ylphenolate;6H-quinolino[1,2-c][1,2,3]benzoxadiazin-5-ium?

The canonical SMILES for hexalithium;benzo[f]quinolin-4-ium-5-olate;6H-isoquinolino[2,1-c][1,3]benzoxazin-7-ium;bis(11-methyl-3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene);2-methyl-1-pyridin-1-ium-2-ylprop-1-en-1-olate;2-methylquinolin-1-ium-8-olate;21-oxa-4-aza-1-azoniapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19-decaene;2-phenanthridin-5-ium-6-ylphenolate;quinolin-1-ium-8-olate;2-quinolin-1-ium-2-ylphenolate;6H-quinolino[1,2-c][1,2,3]benzoxadiazin-5-ium is CC(C)=C([O-])c1cccc[nH+]1.Cc1ccc2cccc([O-])c2[nH+]1.Cc1ccc2cccc3c2[n+]1CO3.Cc1ccc2cccc3c2[n+]1CO3.[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[O-]c1cc2ccccc2c2ccc[nH+]c12.[O-]c1cccc2ccc[nH+]c12.[O-]c1ccccc1-c1[nH+]c2ccccc2c2ccccc12.[O-]c1ccccc1-c1ccc2ccccc2[nH+]1.c1ccc2c(c1)OC[n+]1c-2ccc2ccc3cccnc3c21.c1ccc2c(c1)OC[n+]1ccc3ccccc3c1-2.c1ccc2c(c1)ON[n+]1c-2ccc2ccccc21.

What is the InChIKey of hexalithium;benzo[f]quinolin-4-ium-5-olate;6H-isoquinolino[2,1-c][1,3]benzoxazin-7-ium;bis(11-methyl-3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene);2-methyl-1-pyridin-1-ium-2-ylprop-1-en-1-olate;2-methylquinolin-1-ium-8-olate;21-oxa-4-aza-1-azoniapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19-decaene;2-phenanthridin-5-ium-6-ylphenolate;quinolin-1-ium-8-olate;2-quinolin-1-ium-2-ylphenolate;6H-quinolino[1,2-c][1,2,3]benzoxadiazin-5-ium?

The InChIKey is PVOKSAOYPNLBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N2O.C19H13NO.C16H12NO.C15H11N2O.C15H11NO.C13H9NO.2C11H10NO.C10H9NO.C9H7NO.C9H11NO.6Li/c1-2-6-17-15(5-1)16-10-9-14-8-7-13-4-3-11-20-18(13)19(14)21(16)12-22-17;21-18-12-6-4-10-16(18)19-15-9-2-1-7-13(15)14-8-3-5-11-17(14)20-19;1-2-6-13-12(5-1)9-10-17-11-18-15-8-4-3-7-14(15)16(13)17;1-3-7-13-11(5-1)9-10-14-12-6-2-4-8-15(12)18-16-17(13)14;17-15-8-4-2-6-12(15)14-10-9-11-5-1-3-7-13(11)16-14;15-12-8-9-4-1-2-5-10(9)11-6-3-7-14-13(11)12;2*1-8-5-6-9-3-2-4-10-11(9)12(8)7-13-10;1-7-5-6-8-3-2-4-9(12)10(8)11-7;11-8-5-1-3-7-4-2-6-10-9(7)8;1-7(2)9(11)8-5-3-4-6-10-8;;;;;;/h1-11H,12H2;1-12,21H;1-10H,11H2;1-10,16H;1-10,17H;1-8,15H;2*2-6H,7H2,1H3;2-6,12H,1H3;1-6,11H;3-6,11H,1-2H3;;;;;;/q+1;;2*+1;;;2*+1;;;;6*+1.

What are the key properties of hexalithium;benzo[f]quinolin-4-ium-5-olate;6H-isoquinolino[2,1-c][1,3]benzoxazin-7-ium;bis(11-methyl-3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene);2-methyl-1-pyridin-1-ium-2-ylprop-1-en-1-olate;2-methylquinolin-1-ium-8-olate;21-oxa-4-aza-1-azoniapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19-decaene;2-phenanthridin-5-ium-6-ylphenolate;quinolin-1-ium-8-olate;2-quinolin-1-ium-2-ylphenolate;6H-quinolino[1,2-c][1,2,3]benzoxadiazin-5-ium?

hexalithium;benzo[f]quinolin-4-ium-5-olate;6H-isoquinolino[2,1-c][1,3]benzoxazin-7-ium;bis(11-methyl-3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene);2-methyl-1-pyridin-1-ium-2-ylprop-1-en-1-olate;2-methylquinolin-1-ium-8-olate;21-oxa-4-aza-1-azoniapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19-decaene;2-phenanthridin-5-ium-6-ylphenolate;quinolin-1-ium-8-olate;2-quinolin-1-ium-2-ylphenolate;6H-quinolino[1,2-c][1,2,3]benzoxadiazin-5-ium has a molecular weight of 2282.27 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for hexalithium;benzo[f]quinolin-4-ium-5-olate;6H-isoquinolino[2,1-c][1,3]benzoxazin-7-ium;bis(11-methyl-3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene);2-methyl-1-pyridin-1-ium-2-ylprop-1-en-1-olate;2-methylquinolin-1-ium-8-olate;21-oxa-4-aza-1-azoniapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19-decaene;2-phenanthridin-5-ium-6-ylphenolate;quinolin-1-ium-8-olate;2-quinolin-1-ium-2-ylphenolate;6H-quinolino[1,2-c][1,2,3]benzoxadiazin-5-ium is sourced from PubChem (CID 157485358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).