lithium;carbanide;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;2,4-diphenyl-6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine;2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-4,6-diphenyl-1,3,5-triazine;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene

C140H92LiN14OS2+ — CID 160864312

IUPAClithium;carbanide;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;2,4-diphenyl-6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine;2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-4,6-diphenyl-1,3,5-triazine;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene
SMILES[CH3-].[Li+].c1cc2c3c(c1)ccc[n+]3CO2.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4sc5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5c4c3)n2)cc1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5nccc6c5sc5ccccc56)ccc34)ccc2c1
InChIInChI=1S/C45H27NS.C42H26N6S.C42H28N6.C10H8NO.CH3.Li/c1-3-11-30-25-32(19-17-28(30)9-1)42-36-14-5-6-15-37(36)43(33-20-18-29-10-2-4-12-31(29)26-33)40-27-34(21-22-38(40)42)44-45-39(23-24-46-44)35-13-7-8-16-41(35)47-45;1-5-13-27(14-6-1)37-43-38(28-15-7-2-8-16-28)46-41(45-37)31-21-23-35-33(25-31)34-26-32(22-24-36(34)49-35)42-47-39(29-17-9-3-10-18-29)44-40(48-42)30-19-11-4-12-20-30;1-5-14-29(15-6-1)35-22-13-23-36(28-35)42-47-39(32-20-11-4-12-21-32)46-41(48-42)34-26-24-33(25-27-34)40-44-37(30-16-7-2-8-17-30)43-38(45-40)31-18-9-3-10-19-31;1-3-8-4-2-6-11-7-12-9(5-1)10(8)11;;/h1-27H;1-26H;1-28H;1-6H,7H2;1H3;/q;;;+1;-1;+1
InChIKeyRTZUZRVLRWYPQA-UHFFFAOYSA-N
MW2057.45 g/mol
LogP32.15
Rot. Bonds16

About lithium;carbanide;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;2,4-diphenyl-6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine;2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-4,6-diphenyl-1,3,5-triazine;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene

lithium;carbanide;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;2,4-diphenyl-6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine;2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-4,6-diphenyl-1,3,5-triazine;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene (PubChem CID 160864312) has the molecular formula C140H92LiN14OS2+ and a molecular weight of 2057.45 g/mol. Its IUPAC name is lithium;carbanide;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;2,4-diphenyl-6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine;2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-4,6-diphenyl-1,3,5-triazine;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene.

Molecular Properties

Compound Namelithium;carbanide;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;2,4-diphenyl-6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine;2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-4,6-diphenyl-1,3,5-triazine;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene
PubChem CID160864312
Molecular FormulaC140H92LiN14OS2+
Molecular Weight2057.45 g/mol
Exact Mass2055.72
IUPAC Namelithium;carbanide;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;2,4-diphenyl-6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine;2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-4,6-diphenyl-1,3,5-triazine;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene
SMILES[CH3-].[Li+].c1cc2c3c(c1)ccc[n+]3CO2.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4sc5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5c4c3)n2)cc1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5nccc6c5sc5ccccc56)ccc34)ccc2c1
InChIInChI=1S/C45H27NS.C42H26N6S.C42H28N6.C10H8NO.CH3.Li/c1-3-11-30-25-32(19-17-28(30)9-1)42-36-14-5-6-15-37(36)43(33-20-18-29-10-2-4-12-31(29)26-33)40-27-34(21-22-38(40)42)44-45-39(23-24-46-44)35-13-7-8-16-41(35)47-45;1-5-13-27(14-6-1)37-43-38(28-15-7-2-8-16-28)46-41(45-37)31-21-23-35-33(25-31)34-26-32(22-24-36(34)49-35)42-47-39(29-17-9-3-10-18-29)44-40(48-42)30-19-11-4-12-20-30;1-5-14-29(15-6-1)35-22-13-23-36(28-35)42-47-39(32-20-11-4-12-21-32)46-41(48-42)34-26-24-33(25-27-34)40-44-37(30-16-7-2-8-17-30)43-38(45-40)31-18-9-3-10-19-31;1-3-8-4-2-6-11-7-12-9(5-1)10(8)11;;/h1-27H;1-26H;1-28H;1-6H,7H2;1H3;/q;;;+1;-1;+1
InChIKeyRTZUZRVLRWYPQA-UHFFFAOYSA-N
XLogP32.15
TPSA180.68 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002057.45
LogP ≤ 532.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze lithium;carbanide;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;2,4-diphenyl-6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine;2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-4,6-diphenyl-1,3,5-triazine;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene with MolForge

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Related Compounds

lithium;carbanide;3-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole;12-dibenzofuran-3-yl-5-phenylindolo[3,2-c]carbazole;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;methane;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene
CID 159959675
1-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-1-yl]-[1]benzothiolo[2,3-c]pyridine;1-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]-[1]benzothiolo[2,3-c]pyridine;1-(9,10-diphenylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine
CID 158257639
1-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]isoquinolin-3-yl]-[1]benzothiolo[2,3-c]pyridine
CID 168746133
1-(9,10-dinaphthalen-2-yl-6,7-dihydroanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine
CID 170007448
lithium;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;quinolin-1-ium-8-olate
CID 159942085
1-naphthalen-2-yl-[1]benzothiolo[2,3-c]pyridine
CID 176651602
1,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 159158381
2-dibenzothiophen-3-yl-4-(3-naphthalen-2-ylphenyl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 168845041
2-dibenzothiophen-4-yl-4-(7-naphtho[2,3-b][1]benzothiol-2-ylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168744219
4-(3-dibenzothiophen-2-yl-5-naphthalen-2-ylphenyl)-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 171583317
2-dibenzothiophen-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441895
2-[3-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 122679618

Frequently Asked Questions

What is the IUPAC name of lithium;carbanide;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;2,4-diphenyl-6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine;2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-4,6-diphenyl-1,3,5-triazine;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene?
The IUPAC name of lithium;carbanide;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;2,4-diphenyl-6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine;2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-4,6-diphenyl-1,3,5-triazine;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene (CID 160864312) is lithium;carbanide;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;2,4-diphenyl-6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine;2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-4,6-diphenyl-1,3,5-triazine;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene.
What is the SMILES notation for lithium;carbanide;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;2,4-diphenyl-6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine;2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-4,6-diphenyl-1,3,5-triazine;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene?
The canonical SMILES for lithium;carbanide;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;2,4-diphenyl-6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine;2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-4,6-diphenyl-1,3,5-triazine;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene is [CH3-].[Li+].c1cc2c3c(c1)ccc[n+]3CO2.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4sc5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5c4c3)n2)cc1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5nccc6c5sc5ccccc56)ccc34)ccc2c1.
What is the InChIKey of lithium;carbanide;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;2,4-diphenyl-6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine;2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-4,6-diphenyl-1,3,5-triazine;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene?
The InChIKey is RTZUZRVLRWYPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27NS.C42H26N6S.C42H28N6.C10H8NO.CH3.Li/c1-3-11-30-25-32(19-17-28(30)9-1)42-36-14-5-6-15-37(36)43(33-20-18-29-10-2-4-12-31(29)26-33)40-27-34(21-22-38(40)42)44-45-39(23-24-46-44)35-13-7-8-16-41(35)47-45;1-5-13-27(14-6-1)37-43-38(28-15-7-2-8-16-28)46-41(45-37)31-21-23-35-33(25-31)34-26-32(22-24-36(34)49-35)42-47-39(29-17-9-3-10-18-29)44-40(48-42)30-19-11-4-12-20-30;1-5-14-29(15-6-1)35-22-13-23-36(28-35)42-47-39(32-20-11-4-12-21-32)46-41(48-42)34-26-24-33(25-27-34)40-44-37(30-16-7-2-8-17-30)43-38(45-40)31-18-9-3-10-19-31;1-3-8-4-2-6-11-7-12-9(5-1)10(8)11;;/h1-27H;1-26H;1-28H;1-6H,7H2;1H3;/q;;;+1;-1;+1.
What are the key properties of lithium;carbanide;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;2,4-diphenyl-6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine;2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-4,6-diphenyl-1,3,5-triazine;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene?
lithium;carbanide;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;2,4-diphenyl-6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine;2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-4,6-diphenyl-1,3,5-triazine;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene has a molecular weight of 2057.45 g/mol, XLogP of 32.15, 16 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;carbanide;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;2,4-diphenyl-6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine;2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-4,6-diphenyl-1,3,5-triazine;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene is sourced from PubChem (CID 160864312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).