lithium;(3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;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;quinolin-1-ium-8-olate

C131H84LiN6OS3Si+ — CID 157495989

IUPAClithium;(3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;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;quinolin-1-ium-8-olate
SMILES[Li+].[O-]c1cccc2ccc[nH+]c12.c1ccc([Si](c2ccccc2)(c2cccc(-n3c4ccccc4c4ccccc43)c2)c2cccc3c2sc2ccccc23)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc2sc3c(-n4c5ccccc5c5ccccc54)nccc3c2c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5nccc6c5sc5ccccc56)ccc34)ccc2c1
InChIInChI=1S/C45H27NS.C42H29NSSi.C35H21N3S.C9H7NO.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;1-3-16-31(17-4-1)45(32-18-5-2-6-19-32,41-28-14-24-37-36-23-9-12-27-40(36)44-42(37)41)33-20-13-15-30(29-33)43-38-25-10-7-21-34(38)35-22-8-11-26-39(35)43;1-5-13-29-23(9-1)24-10-2-6-14-30(24)37(29)22-17-18-33-28(21-22)27-19-20-36-35(34(27)39-33)38-31-15-7-3-11-25(31)26-12-4-8-16-32(26)38;11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-27H;1-29H;1-21H;1-6,11H;/q;;;;+1
InChIKeyBXVMFMHWCHWSBY-UHFFFAOYSA-N
MW1889.38 g/mol
LogP28.97
Rot. Bonds10

About lithium;(3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;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;quinolin-1-ium-8-olate

lithium;(3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;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;quinolin-1-ium-8-olate (PubChem CID 157495989) has the molecular formula C131H84LiN6OS3Si+ and a molecular weight of 1889.38 g/mol. Its IUPAC name is lithium;(3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;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;quinolin-1-ium-8-olate.

Molecular Properties

Compound Namelithium;(3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;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;quinolin-1-ium-8-olate
PubChem CID157495989
Molecular FormulaC131H84LiN6OS3Si+
Molecular Weight1889.38 g/mol
Exact Mass1887.58
IUPAC Namelithium;(3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;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;quinolin-1-ium-8-olate
SMILES[Li+].[O-]c1cccc2ccc[nH+]c12.c1ccc([Si](c2ccccc2)(c2cccc(-n3c4ccccc4c4ccccc43)c2)c2cccc3c2sc2ccccc23)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc2sc3c(-n4c5ccccc5c5ccccc54)nccc3c2c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5nccc6c5sc5ccccc56)ccc34)ccc2c1
InChIInChI=1S/C45H27NS.C42H29NSSi.C35H21N3S.C9H7NO.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;1-3-16-31(17-4-1)45(32-18-5-2-6-19-32,41-28-14-24-37-36-23-9-12-27-40(36)44-42(37)41)33-20-13-15-30(29-33)43-38-25-10-7-21-34(38)35-22-8-11-26-39(35)43;1-5-13-29-23(9-1)24-10-2-6-14-30(24)37(29)22-17-18-33-28(21-22)27-19-20-36-35(34(27)39-33)38-31-15-7-3-11-25(31)26-12-4-8-16-32(26)38;11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-27H;1-29H;1-21H;1-6,11H;/q;;;;+1
InChIKeyBXVMFMHWCHWSBY-UHFFFAOYSA-N
XLogP28.97
TPSA77.77 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms143
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001889.38
LogP ≤ 528.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze lithium;(3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;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;quinolin-1-ium-8-olate with MolForge

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Related Compounds

CID 157141096
CID 157141096
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
3-(3-Dibenzothiophen-4-ylphenyl)-9-phenylcarbazole;3-(4-dibenzothiophen-4-ylphenyl)-9-phenylcarbazole;4-(3-triphenylen-2-ylphenyl)dibenzothiophene;tri(quinolin-8-yloxy)alumane
CID 157191773
2,7-Di(dibenzothiophen-4-yl)-9-phenylcarbazole;methane;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;tri(quinolin-8-yloxy)alumane
CID 157297227
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
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
1-(9,10-Dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;molecular hydrogen;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene;9-(9-phenylcarbazol-3-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-phenylphenyl)-14-(9-phenylpyrido[2,3-b]indol-6-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 157502306
CID 157551114
CID 157551114
3,9-Bis(9-phenylcarbazol-3-yl)carbazole;1,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine;tri(quinolin-8-yloxy)alumane
CID 157557426
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
CID 157630252
CID 157630252
CID 157815428
CID 157815428

Frequently Asked Questions

What is the IUPAC name of lithium;(3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;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;quinolin-1-ium-8-olate?
The IUPAC name of lithium;(3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;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;quinolin-1-ium-8-olate (CID 157495989) is lithium;(3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;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;quinolin-1-ium-8-olate.
What is the SMILES notation for lithium;(3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;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;quinolin-1-ium-8-olate?
The canonical SMILES for lithium;(3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;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;quinolin-1-ium-8-olate is [Li+].[O-]c1cccc2ccc[nH+]c12.c1ccc([Si](c2ccccc2)(c2cccc(-n3c4ccccc4c4ccccc43)c2)c2cccc3c2sc2ccccc23)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc2sc3c(-n4c5ccccc5c5ccccc54)nccc3c2c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5nccc6c5sc5ccccc56)ccc34)ccc2c1.
What is the InChIKey of lithium;(3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;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;quinolin-1-ium-8-olate?
The InChIKey is BXVMFMHWCHWSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27NS.C42H29NSSi.C35H21N3S.C9H7NO.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;1-3-16-31(17-4-1)45(32-18-5-2-6-19-32,41-28-14-24-37-36-23-9-12-27-40(36)44-42(37)41)33-20-13-15-30(29-33)43-38-25-10-7-21-34(38)35-22-8-11-26-39(35)43;1-5-13-29-23(9-1)24-10-2-6-14-30(24)37(29)22-17-18-33-28(21-22)27-19-20-36-35(34(27)39-33)38-31-15-7-3-11-25(31)26-12-4-8-16-32(26)38;11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-27H;1-29H;1-21H;1-6,11H;/q;;;;+1.
What are the key properties of lithium;(3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;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;quinolin-1-ium-8-olate?
lithium;(3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;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;quinolin-1-ium-8-olate has a molecular weight of 1889.38 g/mol, XLogP of 28.97, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;(3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;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;quinolin-1-ium-8-olate is sourced from PubChem (CID 157495989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).