lithium;2,4-bis(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-1,3,5-triazine;2-dibenzothiophen-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;2-phenyl-9-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]carbazole;quinolin-1-ium-8-olate

C141H97LiN13OS+ — CID 158449151

IUPAClithium;2,4-bis(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-1,3,5-triazine;2-dibenzothiophen-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;2-phenyl-9-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]carbazole;quinolin-1-ium-8-olate
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)nc(-c4ccc5ccccc5c4)n3)cc21.[Li+].[O-]c1cccc2ccc[nH+]c12.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-n5c6ccccc6c6ccc(-c7ccccc7)cc65)nc4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc(-c6cccc7c6sc6ccccc67)cc54)cc3)n2)cc1
InChIInChI=1S/C45H28N4S.C44H29N5.C43H33N3.C9H7NO.Li/c1-3-12-29(13-4-1)43-46-44(30-14-5-2-6-15-30)48-45(47-43)31-22-25-33(26-23-31)49-39-20-9-7-16-35(39)36-27-24-32(28-40(36)49)34-18-11-19-38-37-17-8-10-21-41(37)50-42(34)38;1-4-12-30(13-5-1)32-20-22-34(23-21-32)43-46-42(33-16-8-3-9-17-33)47-44(48-43)36-25-27-41(45-29-36)49-39-19-11-10-18-37(39)38-26-24-35(28-40(38)49)31-14-6-2-7-15-31;1-42(2)35-15-9-7-13-31(35)33-21-19-29(24-37(33)42)40-44-39(28-18-17-26-11-5-6-12-27(26)23-28)45-41(46-40)30-20-22-34-32-14-8-10-16-36(32)43(3,4)38(34)25-30;11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-28H;1-29H;5-25H,1-4H3;1-6,11H;/q;;;;+1
InChIKeyHDTMJQSDSRBDNL-UHFFFAOYSA-N
MW2028.42 g/mol
LogP31.07
Rot. Bonds14

About lithium;2,4-bis(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-1,3,5-triazine;2-dibenzothiophen-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;2-phenyl-9-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]carbazole;quinolin-1-ium-8-olate

lithium;2,4-bis(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-1,3,5-triazine;2-dibenzothiophen-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;2-phenyl-9-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]carbazole;quinolin-1-ium-8-olate (PubChem CID 158449151) has the molecular formula C141H97LiN13OS+ and a molecular weight of 2028.42 g/mol. Its IUPAC name is lithium;2,4-bis(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-1,3,5-triazine;2-dibenzothiophen-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;2-phenyl-9-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]carbazole;quinolin-1-ium-8-olate.

Molecular Properties

Compound Namelithium;2,4-bis(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-1,3,5-triazine;2-dibenzothiophen-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;2-phenyl-9-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]carbazole;quinolin-1-ium-8-olate
PubChem CID158449151
Molecular FormulaC141H97LiN13OS+
Molecular Weight2028.42 g/mol
Exact Mass2026.78
IUPAC Namelithium;2,4-bis(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-1,3,5-triazine;2-dibenzothiophen-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;2-phenyl-9-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]carbazole;quinolin-1-ium-8-olate
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)nc(-c4ccc5ccccc5c4)n3)cc21.[Li+].[O-]c1cccc2ccc[nH+]c12.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-n5c6ccccc6c6ccc(-c7ccccc7)cc65)nc4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc(-c6cccc7c6sc6ccccc67)cc54)cc3)n2)cc1
InChIInChI=1S/C45H28N4S.C44H29N5.C43H33N3.C9H7NO.Li/c1-3-12-29(13-4-1)43-46-44(30-14-5-2-6-15-30)48-45(47-43)31-22-25-33(26-23-31)49-39-20-9-7-16-35(39)36-27-24-32(28-40(36)49)34-18-11-19-38-37-17-8-10-21-41(37)50-42(34)38;1-4-12-30(13-5-1)32-20-22-34(23-21-32)43-46-42(33-16-8-3-9-17-33)47-44(48-43)36-25-27-41(45-29-36)49-39-19-11-10-18-37(39)38-26-24-35(28-40(38)49)31-14-6-2-7-15-31;1-42(2)35-15-9-7-13-31(35)33-21-19-29(24-37(33)42)40-44-39(28-18-17-26-11-5-6-12-27(26)23-28)45-41(46-40)30-20-22-34-32-14-8-10-16-36(32)43(3,4)38(34)25-30;11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-28H;1-29H;5-25H,1-4H3;1-6,11H;/q;;;;+1
InChIKeyHDTMJQSDSRBDNL-UHFFFAOYSA-N
XLogP31.07
TPSA175.96 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002028.42
LogP ≤ 531.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze lithium;2,4-bis(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-1,3,5-triazine;2-dibenzothiophen-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;2-phenyl-9-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]carbazole;quinolin-1-ium-8-olate with MolForge

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Related Compounds

Lithium;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-(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-diphenyl-1,3,5-triazine;quinolin-1-ium-8-olate
CID 157059101
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-(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-diphenyl-1,3,5-triazine;7,7-dimethyl-5-phenyl-10-pyridin-2-yl-9H-indeno[2,1-b]carbazol-9-ide;iridium;2-phenylpyridine;quinolin-1-ium-8-olate
CID 157070758
Lithium;9-(6-carbazol-9-yl-2-pyridinyl)carbazole;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;quinolin-1-ium-8-olate;11,16,17-triisocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10-tricarbonitrile
CID 157075258
Lithium;2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;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-(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-diphenyl-1,3,5-triazine;quinolin-1-ium-8-olate
CID 157148864
lithium;2,4-diphenyl-6-[3-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine;2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;iridium;5-phenyl-2-phenyl-4-(trideuteriomethyl)pyridine;2-phenyl-5-(trideuteriomethyl)pyridine;quinolin-1-ium-8-olate
CID 157174831
CID 157207420
CID 157207420
Lithium;9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;quinolin-1-ium-8-olate
CID 157219635
CID 157271935
CID 157271935
Lithium;bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);6-(3,5-dimethylbenzene-6-id-1-yl)-3-(2,2-dimethylpropyl)thieno[2,3-f]isoquinoline;5-(3,5-dimethylbenzene-6-id-1-yl)-2-(2,2-dimethylpropyl)thieno[2,3-g]isoquinoline;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(4-phenylphenyl)carbazole;bis(iridium);methane;quinolin-1-ium-8-olate
CID 157316236
Lithium;2-(23,23-dimethyl-19-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-(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-diphenyl-1,3,5-triazine;2-(23,23-dimethyl-19-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)-9-phenyl-1,10-phenanthroline;2,9-dinaphthalen-2-yl-4,7-diphenyl-1,10-phenanthroline;quinolin-1-ium-8-olate
CID 157403704
lithium;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;23,23-dimethyl-20-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]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-dodecaene;23,23-dimethyl-19-(3-pyren-1-ylphenyl)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-dodecaene;iridium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;2-phenylpyridine;quinolin-1-ium-8-olate;1-N,1-N,6-N,6-N-tetrakis(3-methylphenyl)pyrene-1,6-diamine;11,16,17-triisocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10-tricarbonitrile
CID 157432047
2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;1-N,6-N-diphenyl-1-N,6-N-bis(4-trimethylgermylphenyl)pyrene-1,6-diamine;2-N,2-N,6-N,6-N-tetraphenyl-9,10-bis[3-(5-phenylthiophen-2-yl)phenyl]anthracene-2,6-diamine;tri(quinolin-8-yloxy)alumane
CID 157464454

Frequently Asked Questions

What is the IUPAC name of lithium;2,4-bis(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-1,3,5-triazine;2-dibenzothiophen-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;2-phenyl-9-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]carbazole;quinolin-1-ium-8-olate?
The IUPAC name of lithium;2,4-bis(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-1,3,5-triazine;2-dibenzothiophen-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;2-phenyl-9-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]carbazole;quinolin-1-ium-8-olate (CID 158449151) is lithium;2,4-bis(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-1,3,5-triazine;2-dibenzothiophen-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;2-phenyl-9-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]carbazole;quinolin-1-ium-8-olate.
What is the SMILES notation for lithium;2,4-bis(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-1,3,5-triazine;2-dibenzothiophen-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;2-phenyl-9-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]carbazole;quinolin-1-ium-8-olate?
The canonical SMILES for lithium;2,4-bis(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-1,3,5-triazine;2-dibenzothiophen-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;2-phenyl-9-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]carbazole;quinolin-1-ium-8-olate is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)nc(-c4ccc5ccccc5c4)n3)cc21.[Li+].[O-]c1cccc2ccc[nH+]c12.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-n5c6ccccc6c6ccc(-c7ccccc7)cc65)nc4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc(-c6cccc7c6sc6ccccc67)cc54)cc3)n2)cc1.
What is the InChIKey of lithium;2,4-bis(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-1,3,5-triazine;2-dibenzothiophen-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;2-phenyl-9-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]carbazole;quinolin-1-ium-8-olate?
The InChIKey is HDTMJQSDSRBDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4S.C44H29N5.C43H33N3.C9H7NO.Li/c1-3-12-29(13-4-1)43-46-44(30-14-5-2-6-15-30)48-45(47-43)31-22-25-33(26-23-31)49-39-20-9-7-16-35(39)36-27-24-32(28-40(36)49)34-18-11-19-38-37-17-8-10-21-41(37)50-42(34)38;1-4-12-30(13-5-1)32-20-22-34(23-21-32)43-46-42(33-16-8-3-9-17-33)47-44(48-43)36-25-27-41(45-29-36)49-39-19-11-10-18-37(39)38-26-24-35(28-40(38)49)31-14-6-2-7-15-31;1-42(2)35-15-9-7-13-31(35)33-21-19-29(24-37(33)42)40-44-39(28-18-17-26-11-5-6-12-27(26)23-28)45-41(46-40)30-20-22-34-32-14-8-10-16-36(32)43(3,4)38(34)25-30;11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-28H;1-29H;5-25H,1-4H3;1-6,11H;/q;;;;+1.
What are the key properties of lithium;2,4-bis(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-1,3,5-triazine;2-dibenzothiophen-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;2-phenyl-9-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]carbazole;quinolin-1-ium-8-olate?
lithium;2,4-bis(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-1,3,5-triazine;2-dibenzothiophen-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;2-phenyl-9-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]carbazole;quinolin-1-ium-8-olate has a molecular weight of 2028.42 g/mol, XLogP of 31.07, 14 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2,4-bis(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-1,3,5-triazine;2-dibenzothiophen-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;2-phenyl-9-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]carbazole;quinolin-1-ium-8-olate is sourced from PubChem (CID 158449151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).