lithium;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;2-[6-(dicyanomethylidene)-1,3,4,5,7,8-hexafluoronaphthalen-2-ylidene]propanedinitrile;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;8-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline;quinolin-1-ium-8-olate

C150H93F6LiN13O+ — CID 162055465

IUPAClithium;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;2-[6-(dicyanomethylidene)-1,3,4,5,7,8-hexafluoronaphthalen-2-ylidene]propanedinitrile;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;8-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline;quinolin-1-ium-8-olate
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc21.N#CC(C#N)=c1c(F)c(F)c2c(F)c(=C(C#N)C#N)c(F)c(F)c2c1F.[Li+].[O-]c1cccc2ccc[nH+]c12.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.c1ccc2cc(-c3nc(-c4ccc(-c5cccc6cccnc56)cc4)nc(-c4ccc5ccccc5c4)n3)ccc2c1
InChIInChI=1S/C51H38N2.C38H24N4.C36H24N2.C16F6N4.C9H7NO.Li/c1-51(2)47-19-11-9-17-43(47)44-31-30-42(34-48(44)51)52(40-26-21-36(22-27-40)35-13-5-3-6-14-35)41-28-23-37(24-29-41)38-25-32-50-46(33-38)45-18-10-12-20-49(45)53(50)39-15-7-4-8-16-39;1-3-9-30-23-32(20-14-25(30)7-1)37-40-36(41-38(42-37)33-21-15-26-8-2-4-10-31(26)24-33)29-18-16-27(17-19-29)34-13-5-11-28-12-6-22-39-35(28)34;1-5-13-33-29(9-1)30-10-2-6-14-34(30)37(33)27-21-17-25(18-22-27)26-19-23-28(24-20-26)38-35-15-7-3-11-31(35)32-12-4-8-16-36(32)38;17-11-7(5(1-23)2-24)13(19)15(21)10-9(11)16(22)14(20)8(12(10)18)6(3-25)4-26;11-8-5-1-3-7-4-2-6-10-9(7)8;/h3-34H,1-2H3;1-24H;1-24H;;1-6,11H;/q;;;;;+1
InChIKeyYZCRDEKNYVWCKW-UHFFFAOYSA-N
MW2214.41 g/mol
LogP32.64
Rot. Bonds13

About lithium;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;2-[6-(dicyanomethylidene)-1,3,4,5,7,8-hexafluoronaphthalen-2-ylidene]propanedinitrile;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;8-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline;quinolin-1-ium-8-olate

lithium;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;2-[6-(dicyanomethylidene)-1,3,4,5,7,8-hexafluoronaphthalen-2-ylidene]propanedinitrile;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;8-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline;quinolin-1-ium-8-olate (PubChem CID 162055465) has the molecular formula C150H93F6LiN13O+ and a molecular weight of 2214.41 g/mol. Its IUPAC name is lithium;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;2-[6-(dicyanomethylidene)-1,3,4,5,7,8-hexafluoronaphthalen-2-ylidene]propanedinitrile;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;8-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline;quinolin-1-ium-8-olate.

Molecular Properties

Compound Namelithium;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;2-[6-(dicyanomethylidene)-1,3,4,5,7,8-hexafluoronaphthalen-2-ylidene]propanedinitrile;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;8-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline;quinolin-1-ium-8-olate
PubChem CID162055465
Molecular FormulaC150H93F6LiN13O+
Molecular Weight2214.41 g/mol
Exact Mass2212.77
IUPAC Namelithium;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;2-[6-(dicyanomethylidene)-1,3,4,5,7,8-hexafluoronaphthalen-2-ylidene]propanedinitrile;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;8-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline;quinolin-1-ium-8-olate
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc21.N#CC(C#N)=c1c(F)c(F)c2c(F)c(=C(C#N)C#N)c(F)c(F)c2c1F.[Li+].[O-]c1cccc2ccc[nH+]c12.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.c1ccc2cc(-c3nc(-c4ccc(-c5cccc6cccnc56)cc4)nc(-c4ccc5ccccc5c4)n3)ccc2c1
InChIInChI=1S/C51H38N2.C38H24N4.C36H24N2.C16F6N4.C9H7NO.Li/c1-51(2)47-19-11-9-17-43(47)44-31-30-42(34-48(44)51)52(40-26-21-36(22-27-40)35-13-5-3-6-14-35)41-28-23-37(24-29-41)38-25-32-50-46(33-38)45-18-10-12-20-49(45)53(50)39-15-7-4-8-16-39;1-3-9-30-23-32(20-14-25(30)7-1)37-40-36(41-38(42-37)33-21-15-26-8-2-4-10-31(26)24-33)29-18-16-27(17-19-29)34-13-5-11-28-12-6-22-39-35(28)34;1-5-13-33-29(9-1)30-10-2-6-14-34(30)37(33)27-21-17-25(18-22-27)26-19-23-28(24-20-26)38-35-15-7-3-11-31(35)32-12-4-8-16-36(32)38;17-11-7(5(1-23)2-24)13(19)15(21)10-9(11)16(22)14(20)8(12(10)18)6(3-25)4-26;11-8-5-1-3-7-4-2-6-10-9(7)8;/h3-34H,1-2H3;1-24H;1-24H;;1-6,11H;/q;;;;;+1
InChIKeyYZCRDEKNYVWCKW-UHFFFAOYSA-N
XLogP32.64
TPSA201.95 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002214.41
LogP ≤ 532.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze lithium;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;2-[6-(dicyanomethylidene)-1,3,4,5,7,8-hexafluoronaphthalen-2-ylidene]propanedinitrile;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;8-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline;quinolin-1-ium-8-olate with MolForge

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Related Compounds

lithium;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-phenylphenyl)-5-(trifluoromethyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-phenyl-5-(trifluoromethyl)pyridine;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(4-phenylphenyl)carbazole;bis(iridium);methane;quinolin-1-ium-8-olate
CID 157162260
CID 157263688
CID 157263688
lithium;9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-[10-(dicyanomethylidene)-2,8-bis(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]propanedinitrile;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;4-hydroxypentan-2-one;iridium;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;quinolin-1-ium-8-olate
CID 157457679
lithium;1-(4-tert-butylbenzene-6-id-1-yl)isoquinoline;9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;4-hydroxypent-3-en-2-one;iridium;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;quinolin-1-ium-8-olate
CID 158222243
CID 160364430
CID 160364430
CID 161105467
CID 161105467
CID 161927251
CID 161927251
CID 162149692
CID 162149692
CID 163540691
CID 163540691
Dilithium;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-(8-oxidoquinolin-1-ium-5-yl)anthracen-9-yl]quinolin-1-ium-8-olate
CID 140600469
Dilithium;7-[2-(2,6-diphenylpyrimidin-4-yl)-10-(8-oxidoquinolin-1-ium-5-yl)anthracen-9-yl]quinolin-1-ium-8-olate
CID 140600475
Lithium 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]quinolin-1-ium-8-olate
CID 140600483

Frequently Asked Questions

What is the IUPAC name of lithium;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;2-[6-(dicyanomethylidene)-1,3,4,5,7,8-hexafluoronaphthalen-2-ylidene]propanedinitrile;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;8-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline;quinolin-1-ium-8-olate?
The IUPAC name of lithium;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;2-[6-(dicyanomethylidene)-1,3,4,5,7,8-hexafluoronaphthalen-2-ylidene]propanedinitrile;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;8-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline;quinolin-1-ium-8-olate (CID 162055465) is lithium;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;2-[6-(dicyanomethylidene)-1,3,4,5,7,8-hexafluoronaphthalen-2-ylidene]propanedinitrile;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;8-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline;quinolin-1-ium-8-olate.
What is the SMILES notation for lithium;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;2-[6-(dicyanomethylidene)-1,3,4,5,7,8-hexafluoronaphthalen-2-ylidene]propanedinitrile;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;8-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline;quinolin-1-ium-8-olate?
The canonical SMILES for lithium;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;2-[6-(dicyanomethylidene)-1,3,4,5,7,8-hexafluoronaphthalen-2-ylidene]propanedinitrile;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;8-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline;quinolin-1-ium-8-olate is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc21.N#CC(C#N)=c1c(F)c(F)c2c(F)c(=C(C#N)C#N)c(F)c(F)c2c1F.[Li+].[O-]c1cccc2ccc[nH+]c12.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.c1ccc2cc(-c3nc(-c4ccc(-c5cccc6cccnc56)cc4)nc(-c4ccc5ccccc5c4)n3)ccc2c1.
What is the InChIKey of lithium;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;2-[6-(dicyanomethylidene)-1,3,4,5,7,8-hexafluoronaphthalen-2-ylidene]propanedinitrile;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;8-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline;quinolin-1-ium-8-olate?
The InChIKey is YZCRDEKNYVWCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H38N2.C38H24N4.C36H24N2.C16F6N4.C9H7NO.Li/c1-51(2)47-19-11-9-17-43(47)44-31-30-42(34-48(44)51)52(40-26-21-36(22-27-40)35-13-5-3-6-14-35)41-28-23-37(24-29-41)38-25-32-50-46(33-38)45-18-10-12-20-49(45)53(50)39-15-7-4-8-16-39;1-3-9-30-23-32(20-14-25(30)7-1)37-40-36(41-38(42-37)33-21-15-26-8-2-4-10-31(26)24-33)29-18-16-27(17-19-29)34-13-5-11-28-12-6-22-39-35(28)34;1-5-13-33-29(9-1)30-10-2-6-14-34(30)37(33)27-21-17-25(18-22-27)26-19-23-28(24-20-26)38-35-15-7-3-11-31(35)32-12-4-8-16-36(32)38;17-11-7(5(1-23)2-24)13(19)15(21)10-9(11)16(22)14(20)8(12(10)18)6(3-25)4-26;11-8-5-1-3-7-4-2-6-10-9(7)8;/h3-34H,1-2H3;1-24H;1-24H;;1-6,11H;/q;;;;;+1.
What are the key properties of lithium;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;2-[6-(dicyanomethylidene)-1,3,4,5,7,8-hexafluoronaphthalen-2-ylidene]propanedinitrile;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;8-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline;quinolin-1-ium-8-olate?
lithium;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;2-[6-(dicyanomethylidene)-1,3,4,5,7,8-hexafluoronaphthalen-2-ylidene]propanedinitrile;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;8-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline;quinolin-1-ium-8-olate has a molecular weight of 2214.41 g/mol, XLogP of 32.64, 13 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;2-[6-(dicyanomethylidene)-1,3,4,5,7,8-hexafluoronaphthalen-2-ylidene]propanedinitrile;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;8-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline;quinolin-1-ium-8-olate is sourced from PubChem (CID 162055465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).