hexalithium;5-[6-[4-(1,3-benzothiazol-2-yl)phenyl]pyren-1-yl]quinolin-1-ium-8-olate;7-[6-(1,3-benzothiazol-2-yl)pyren-1-yl]quinolin-1-ium-8-olate;5-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]quinolin-1-ium-8-olate;7-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]quinolin-1-ium-8-olate;5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]quinolin-1-ium-8-olate;5-(2'-pyrimidin-5-yl-9,9'-spirobi[fluorene]-2-yl)quinolin-1-ium-8-olate

C259H156Li6N18O6S2+6 — CID 158850440

IUPAChexalithium;5-[6-[4-(1,3-benzothiazol-2-yl)phenyl]pyren-1-yl]quinolin-1-ium-8-olate;7-[6-(1,3-benzothiazol-2-yl)pyren-1-yl]quinolin-1-ium-8-olate;5-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]quinolin-1-ium-8-olate;7-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]quinolin-1-ium-8-olate;5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]quinolin-1-ium-8-olate;5-(2'-pyrimidin-5-yl-9,9'-spirobi[fluorene]-2-yl)quinolin-1-ium-8-olate
SMILES[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[O-]c1c(-c2ccc3c(c2)C2(c4ccccc4-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc42)c2ccccc2-3)ccc2ccc[nH+]c12.[O-]c1c(-c2ccc3ccc4c(-c5nc6ccccc6s5)ccc5ccc2c3c54)ccc2ccc[nH+]c12.[O-]c1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)cc42)c2ccccc2-3)c2ccc[nH+]c12.[O-]c1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccc(-c5cncnc5)cc42)c2ccccc2-3)c2ccc[nH+]c12.[O-]c1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc42)c2ccccc2-3)c2ccc[nH+]c12.[O-]c1ccc(-c2ccc3ccc4c(-c5ccc(-c6nc7ccccc7s6)cc5)ccc5ccc2c3c54)c2ccc[nH+]c12
InChIInChI=1S/C53H33N3O.2C49H30N4O.C38H23N3O.C38H22N2OS.C32H18N2OS.6Li/c57-50-29-28-38(43-15-10-30-54-51(43)50)36-25-27-42-40-14-5-7-17-45(40)53(47(42)32-36)44-16-6-4-13-39(44)41-26-24-35(31-46(41)53)33-20-22-34(23-21-33)52-55-48-18-8-9-19-49(48)56(52)37-11-2-1-3-12-37;54-45-35(24-21-30-16-11-27-50-44(30)45)33-22-25-38-36-17-7-9-19-40(36)49(42(38)28-33)41-20-10-8-18-37(41)39-26-23-34(29-43(39)49)48-52-46(31-12-3-1-4-13-31)51-47(53-48)32-14-5-2-6-15-32;54-44-26-25-34(39-18-11-27-50-45(39)44)32-21-23-37-35-16-7-9-19-40(35)49(42(37)28-32)41-20-10-8-17-36(41)38-24-22-33(29-43(38)49)48-52-46(30-12-3-1-4-13-30)51-47(53-48)31-14-5-2-6-15-31;42-36-16-15-26(31-8-5-17-41-37(31)36)24-12-14-30-28-7-2-4-10-33(28)38(35(30)19-24)32-9-3-1-6-27(32)29-13-11-23(18-34(29)38)25-20-39-22-40-21-25;41-33-20-19-28(31-4-3-21-39-37(31)33)27-16-12-24-13-17-29-26(15-11-23-14-18-30(27)36(24)35(23)29)22-7-9-25(10-8-22)38-40-32-5-1-2-6-34(32)42-38;35-31-24(15-11-20-4-3-17-33-30(20)31)21-12-7-18-9-14-23-25(32-34-26-5-1-2-6-27(26)36-32)16-10-19-8-13-22(21)28(18)29(19)23;;;;;;/h1-32,57H;2*1-29,54H;1-22,42H;1-21,41H;1-17,35H;;;;;;/q;;;;;;6*+1
InChIKeyIZJOAEAOYRWYFF-UHFFFAOYSA-N
MW3722.00 g/mol
LogP37.28
Rot. Bonds19

About hexalithium;5-[6-[4-(1,3-benzothiazol-2-yl)phenyl]pyren-1-yl]quinolin-1-ium-8-olate;7-[6-(1,3-benzothiazol-2-yl)pyren-1-yl]quinolin-1-ium-8-olate;5-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]quinolin-1-ium-8-olate;7-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]quinolin-1-ium-8-olate;5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]quinolin-1-ium-8-olate;5-(2'-pyrimidin-5-yl-9,9'-spirobi[fluorene]-2-yl)quinolin-1-ium-8-olate

hexalithium;5-[6-[4-(1,3-benzothiazol-2-yl)phenyl]pyren-1-yl]quinolin-1-ium-8-olate;7-[6-(1,3-benzothiazol-2-yl)pyren-1-yl]quinolin-1-ium-8-olate;5-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]quinolin-1-ium-8-olate;7-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]quinolin-1-ium-8-olate;5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]quinolin-1-ium-8-olate;5-(2'-pyrimidin-5-yl-9,9'-spirobi[fluorene]-2-yl)quinolin-1-ium-8-olate (PubChem CID 158850440) has the molecular formula C259H156Li6N18O6S2+6 and a molecular weight of 3722.00 g/mol. Its IUPAC name is hexalithium;5-[6-[4-(1,3-benzothiazol-2-yl)phenyl]pyren-1-yl]quinolin-1-ium-8-olate;7-[6-(1,3-benzothiazol-2-yl)pyren-1-yl]quinolin-1-ium-8-olate;5-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]quinolin-1-ium-8-olate;7-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]quinolin-1-ium-8-olate;5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]quinolin-1-ium-8-olate;5-(2'-pyrimidin-5-yl-9,9'-spirobi[fluorene]-2-yl)quinolin-1-ium-8-olate.

Molecular Properties

Compound Namehexalithium;5-[6-[4-(1,3-benzothiazol-2-yl)phenyl]pyren-1-yl]quinolin-1-ium-8-olate;7-[6-(1,3-benzothiazol-2-yl)pyren-1-yl]quinolin-1-ium-8-olate;5-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]quinolin-1-ium-8-olate;7-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]quinolin-1-ium-8-olate;5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]quinolin-1-ium-8-olate;5-(2'-pyrimidin-5-yl-9,9'-spirobi[fluorene]-2-yl)quinolin-1-ium-8-olate
PubChem CID158850440
Molecular FormulaC259H156Li6N18O6S2+6
Molecular Weight3722.00 g/mol
Exact Mass3719.28
IUPAC Namehexalithium;5-[6-[4-(1,3-benzothiazol-2-yl)phenyl]pyren-1-yl]quinolin-1-ium-8-olate;7-[6-(1,3-benzothiazol-2-yl)pyren-1-yl]quinolin-1-ium-8-olate;5-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]quinolin-1-ium-8-olate;7-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]quinolin-1-ium-8-olate;5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]quinolin-1-ium-8-olate;5-(2'-pyrimidin-5-yl-9,9'-spirobi[fluorene]-2-yl)quinolin-1-ium-8-olate
SMILES[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[O-]c1c(-c2ccc3c(c2)C2(c4ccccc4-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc42)c2ccccc2-3)ccc2ccc[nH+]c12.[O-]c1c(-c2ccc3ccc4c(-c5nc6ccccc6s5)ccc5ccc2c3c54)ccc2ccc[nH+]c12.[O-]c1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)cc42)c2ccccc2-3)c2ccc[nH+]c12.[O-]c1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccc(-c5cncnc5)cc42)c2ccccc2-3)c2ccc[nH+]c12.[O-]c1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc42)c2ccccc2-3)c2ccc[nH+]c12.[O-]c1ccc(-c2ccc3ccc4c(-c5ccc(-c6nc7ccccc7s6)cc5)ccc5ccc2c3c54)c2ccc[nH+]c12
InChIInChI=1S/C53H33N3O.2C49H30N4O.C38H23N3O.C38H22N2OS.C32H18N2OS.6Li/c57-50-29-28-38(43-15-10-30-54-51(43)50)36-25-27-42-40-14-5-7-17-45(40)53(47(42)32-36)44-16-6-4-13-39(44)41-26-24-35(31-46(41)53)33-20-22-34(23-21-33)52-55-48-18-8-9-19-49(48)56(52)37-11-2-1-3-12-37;54-45-35(24-21-30-16-11-27-50-44(30)45)33-22-25-38-36-17-7-9-19-40(36)49(42(38)28-33)41-20-10-8-18-37(41)39-26-23-34(29-43(39)49)48-52-46(31-12-3-1-4-13-31)51-47(53-48)32-14-5-2-6-15-32;54-44-26-25-34(39-18-11-27-50-45(39)44)32-21-23-37-35-16-7-9-19-40(35)49(42(37)28-32)41-20-10-8-17-36(41)38-24-22-33(29-43(38)49)48-52-46(30-12-3-1-4-13-30)51-47(53-48)31-14-5-2-6-15-31;42-36-16-15-26(31-8-5-17-41-37(31)36)24-12-14-30-28-7-2-4-10-33(28)38(35(30)19-24)32-9-3-1-6-27(32)29-13-11-23(18-34(29)38)25-20-39-22-40-21-25;41-33-20-19-28(31-4-3-21-39-37(31)33)27-16-12-24-13-17-29-26(15-11-23-14-18-30(27)36(24)35(23)29)22-7-9-25(10-8-22)38-40-32-5-1-2-6-34(32)42-38;35-31-24(15-11-20-4-3-17-33-30(20)31)21-12-7-18-9-14-23-25(32-34-26-5-1-2-6-27(26)36-32)16-10-19-8-13-22(21)28(18)29(19)23;;;;;;/h1-32,57H;2*1-29,54H;1-22,42H;1-21,41H;1-17,35H;;;;;;/q;;;;;;6*+1
InChIKeyIZJOAEAOYRWYFF-UHFFFAOYSA-N
XLogP37.28
TPSA369.92 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds19
Heavy Atoms291
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003722.00
LogP ≤ 537.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze hexalithium;5-[6-[4-(1,3-benzothiazol-2-yl)phenyl]pyren-1-yl]quinolin-1-ium-8-olate;7-[6-(1,3-benzothiazol-2-yl)pyren-1-yl]quinolin-1-ium-8-olate;5-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]quinolin-1-ium-8-olate;7-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]quinolin-1-ium-8-olate;5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]quinolin-1-ium-8-olate;5-(2'-pyrimidin-5-yl-9,9'-spirobi[fluorene]-2-yl)quinolin-1-ium-8-olate with MolForge

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Related Compounds

Beryllium;bis(2-(1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);bis(2-(1,3-benzothiazol-2-yl)phenol);2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethylindeno[2,1-a]carbazole;ZINC
CID 157113939
Tetralithium;5-[10-(8-oxidoquinolin-1-ium-5-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;5-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate
CID 157310278
Pentalithium;5-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[10-(1-phenylbenzimidazol-2-yl)anthracen-9-yl]quinolin-1-ium-8-olate;5-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate
CID 157322061
Trilithium;7-[5-(1-phenylbenzimidazol-2-yl)anthracen-1-yl]quinolin-1-ium-8-olate;5-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-1-yl]quinolin-1-ium-8-olate;5-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate
CID 157337915
Tetralithium;7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-1-ium-8-olate;2-[2-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate;5-[2-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate;7-[2-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate
CID 157374215
Dilithium;carbanide;2-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-4,6-bis(3,5-diphenylphenyl)-1,3,5-triazine;2-naphthalen-1-yl-9-[4-[1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzimidazol-2-yl]phenyl]-1,10-phenanthroline;quinolin-1-ium-8-olate;10,10,21,21-tetramethyl-14-[5-(10,10,21,21-tetramethyl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)naphthalen-1-yl]-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10,10,21,21-tetramethyl-14-[6-(10,10,21,21-tetramethyl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)naphthalen-2-yl]-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 157545843
Hexalithium;5-[10-(8-oxidoquinolin-1-ium-5-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[10-(8-oxidoquinolin-1-ium-7-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;5-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate
CID 157567579
hexalithium;5-[3-(1,3-benzothiazol-2-yl)-10-(8-oxidoquinolin-1-ium-5-yl)anthracen-9-yl]quinolin-1-ium-8-olate;2-[10-(8-oxido-1H-naphthalen-1-id-2-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;2-[10-(8-oxidoquinolin-1-ium-7-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate
CID 157568252
Trilithium;5-[5-(1-phenylbenzimidazol-2-yl)anthracen-1-yl]quinolin-1-ium-8-olate;7-[5-(1-phenylbenzimidazol-2-yl)anthracen-1-yl]quinolin-1-ium-8-olate;5-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate
CID 157682825
CID 157694842
CID 157694842
Triberyllium;bis(benzo[h]quinolin-1-ium-10-olate);bis(2-(1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(1,3-benzothiazol-2-yl)-4-(9,9-dimethylfluoren-2-yl)phenol);2-(1,3-benzothiazol-2-yl)phenol;bis(2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate);2-(1-phenylbenzimidazol-2-yl)phenol;bis(2-(6-phenyl-1,3-benzothiazol-2-yl)phenol);bis(2-pyridin-2-ylphenol);bis(2-(6-triphenylsilyl-1,3-benzothiazol-2-yl)phenol);ZINC
CID 157991219
Dizinc;benzo[h]quinolin-10-ol;bis(2-(1,3-benzothiazol-2-yl)benzenethiolate);2-(1-phenylbenzimidazol-2-yl)benzenethiolate;2-(1-phenylbenzimidazol-2-yl)phenol;bis(2-pyridin-2-ylbenzenethiolate);quinolin-8-ol;ZINC
CID 158007820

Frequently Asked Questions

What is the IUPAC name of hexalithium;5-[6-[4-(1,3-benzothiazol-2-yl)phenyl]pyren-1-yl]quinolin-1-ium-8-olate;7-[6-(1,3-benzothiazol-2-yl)pyren-1-yl]quinolin-1-ium-8-olate;5-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]quinolin-1-ium-8-olate;7-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]quinolin-1-ium-8-olate;5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]quinolin-1-ium-8-olate;5-(2'-pyrimidin-5-yl-9,9'-spirobi[fluorene]-2-yl)quinolin-1-ium-8-olate?
The IUPAC name of hexalithium;5-[6-[4-(1,3-benzothiazol-2-yl)phenyl]pyren-1-yl]quinolin-1-ium-8-olate;7-[6-(1,3-benzothiazol-2-yl)pyren-1-yl]quinolin-1-ium-8-olate;5-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]quinolin-1-ium-8-olate;7-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]quinolin-1-ium-8-olate;5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]quinolin-1-ium-8-olate;5-(2'-pyrimidin-5-yl-9,9'-spirobi[fluorene]-2-yl)quinolin-1-ium-8-olate (CID 158850440) is hexalithium;5-[6-[4-(1,3-benzothiazol-2-yl)phenyl]pyren-1-yl]quinolin-1-ium-8-olate;7-[6-(1,3-benzothiazol-2-yl)pyren-1-yl]quinolin-1-ium-8-olate;5-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]quinolin-1-ium-8-olate;7-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]quinolin-1-ium-8-olate;5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]quinolin-1-ium-8-olate;5-(2'-pyrimidin-5-yl-9,9'-spirobi[fluorene]-2-yl)quinolin-1-ium-8-olate.
What is the SMILES notation for hexalithium;5-[6-[4-(1,3-benzothiazol-2-yl)phenyl]pyren-1-yl]quinolin-1-ium-8-olate;7-[6-(1,3-benzothiazol-2-yl)pyren-1-yl]quinolin-1-ium-8-olate;5-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]quinolin-1-ium-8-olate;7-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]quinolin-1-ium-8-olate;5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]quinolin-1-ium-8-olate;5-(2'-pyrimidin-5-yl-9,9'-spirobi[fluorene]-2-yl)quinolin-1-ium-8-olate?
The canonical SMILES for hexalithium;5-[6-[4-(1,3-benzothiazol-2-yl)phenyl]pyren-1-yl]quinolin-1-ium-8-olate;7-[6-(1,3-benzothiazol-2-yl)pyren-1-yl]quinolin-1-ium-8-olate;5-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]quinolin-1-ium-8-olate;7-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]quinolin-1-ium-8-olate;5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]quinolin-1-ium-8-olate;5-(2'-pyrimidin-5-yl-9,9'-spirobi[fluorene]-2-yl)quinolin-1-ium-8-olate is [Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[O-]c1c(-c2ccc3c(c2)C2(c4ccccc4-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc42)c2ccccc2-3)ccc2ccc[nH+]c12.[O-]c1c(-c2ccc3ccc4c(-c5nc6ccccc6s5)ccc5ccc2c3c54)ccc2ccc[nH+]c12.[O-]c1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)cc42)c2ccccc2-3)c2ccc[nH+]c12.[O-]c1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccc(-c5cncnc5)cc42)c2ccccc2-3)c2ccc[nH+]c12.[O-]c1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc42)c2ccccc2-3)c2ccc[nH+]c12.[O-]c1ccc(-c2ccc3ccc4c(-c5ccc(-c6nc7ccccc7s6)cc5)ccc5ccc2c3c54)c2ccc[nH+]c12.
What is the InChIKey of hexalithium;5-[6-[4-(1,3-benzothiazol-2-yl)phenyl]pyren-1-yl]quinolin-1-ium-8-olate;7-[6-(1,3-benzothiazol-2-yl)pyren-1-yl]quinolin-1-ium-8-olate;5-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]quinolin-1-ium-8-olate;7-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]quinolin-1-ium-8-olate;5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]quinolin-1-ium-8-olate;5-(2'-pyrimidin-5-yl-9,9'-spirobi[fluorene]-2-yl)quinolin-1-ium-8-olate?
The InChIKey is IZJOAEAOYRWYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N3O.2C49H30N4O.C38H23N3O.C38H22N2OS.C32H18N2OS.6Li/c57-50-29-28-38(43-15-10-30-54-51(43)50)36-25-27-42-40-14-5-7-17-45(40)53(47(42)32-36)44-16-6-4-13-39(44)41-26-24-35(31-46(41)53)33-20-22-34(23-21-33)52-55-48-18-8-9-19-49(48)56(52)37-11-2-1-3-12-37;54-45-35(24-21-30-16-11-27-50-44(30)45)33-22-25-38-36-17-7-9-19-40(36)49(42(38)28-33)41-20-10-8-18-37(41)39-26-23-34(29-43(39)49)48-52-46(31-12-3-1-4-13-31)51-47(53-48)32-14-5-2-6-15-32;54-44-26-25-34(39-18-11-27-50-45(39)44)32-21-23-37-35-16-7-9-19-40(35)49(42(37)28-32)41-20-10-8-17-36(41)38-24-22-33(29-43(38)49)48-52-46(30-12-3-1-4-13-30)51-47(53-48)31-14-5-2-6-15-31;42-36-16-15-26(31-8-5-17-41-37(31)36)24-12-14-30-28-7-2-4-10-33(28)38(35(30)19-24)32-9-3-1-6-27(32)29-13-11-23(18-34(29)38)25-20-39-22-40-21-25;41-33-20-19-28(31-4-3-21-39-37(31)33)27-16-12-24-13-17-29-26(15-11-23-14-18-30(27)36(24)35(23)29)22-7-9-25(10-8-22)38-40-32-5-1-2-6-34(32)42-38;35-31-24(15-11-20-4-3-17-33-30(20)31)21-12-7-18-9-14-23-25(32-34-26-5-1-2-6-27(26)36-32)16-10-19-8-13-22(21)28(18)29(19)23;;;;;;/h1-32,57H;2*1-29,54H;1-22,42H;1-21,41H;1-17,35H;;;;;;/q;;;;;;6*+1.
What are the key properties of hexalithium;5-[6-[4-(1,3-benzothiazol-2-yl)phenyl]pyren-1-yl]quinolin-1-ium-8-olate;7-[6-(1,3-benzothiazol-2-yl)pyren-1-yl]quinolin-1-ium-8-olate;5-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]quinolin-1-ium-8-olate;7-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]quinolin-1-ium-8-olate;5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]quinolin-1-ium-8-olate;5-(2'-pyrimidin-5-yl-9,9'-spirobi[fluorene]-2-yl)quinolin-1-ium-8-olate?
hexalithium;5-[6-[4-(1,3-benzothiazol-2-yl)phenyl]pyren-1-yl]quinolin-1-ium-8-olate;7-[6-(1,3-benzothiazol-2-yl)pyren-1-yl]quinolin-1-ium-8-olate;5-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]quinolin-1-ium-8-olate;7-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]quinolin-1-ium-8-olate;5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]quinolin-1-ium-8-olate;5-(2'-pyrimidin-5-yl-9,9'-spirobi[fluorene]-2-yl)quinolin-1-ium-8-olate has a molecular weight of 3722.00 g/mol, XLogP of 37.28, 19 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for hexalithium;5-[6-[4-(1,3-benzothiazol-2-yl)phenyl]pyren-1-yl]quinolin-1-ium-8-olate;7-[6-(1,3-benzothiazol-2-yl)pyren-1-yl]quinolin-1-ium-8-olate;5-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]quinolin-1-ium-8-olate;7-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]quinolin-1-ium-8-olate;5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]quinolin-1-ium-8-olate;5-(2'-pyrimidin-5-yl-9,9'-spirobi[fluorene]-2-yl)quinolin-1-ium-8-olate is sourced from PubChem (CID 158850440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).