lithium;9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;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

C125H77LiN7OS3+ — CID 158815185

IUPAClithium;9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;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.c1ccc2c(c1)c1ccccc1n2-c1ccc2sc3c(-n4c5ccccc5c5ccccc54)nccc3c2c1.c1ccc2c(c1)c1ccccc1n2-c1ccc2sc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5nccc6c5sc5ccccc56)ccc34)ccc2c1
InChIInChI=1S/C45H27NS.C36H22N2S.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;1-5-13-31-25(9-1)26-10-2-6-14-32(26)37(31)23-17-19-35-29(21-23)30-22-24(18-20-36(30)39-35)38-33-15-7-3-11-27(33)28-12-4-8-16-34(28)38;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;1-22H;1-21H;1-6,11H;/q;;;;+1
InChIKeyIVEHGVRKROTGFY-UHFFFAOYSA-N
MW1796.18 g/mol
LogP30.69
Rot. Bonds7

About lithium;9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;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;9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;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 158815185) has the molecular formula C125H77LiN7OS3+ and a molecular weight of 1796.18 g/mol. Its IUPAC name is lithium;9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;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;9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;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 CID158815185
Molecular FormulaC125H77LiN7OS3+
Molecular Weight1796.18 g/mol
Exact Mass1794.55
IUPAC Namelithium;9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;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.c1ccc2c(c1)c1ccccc1n2-c1ccc2sc3c(-n4c5ccccc5c5ccccc54)nccc3c2c1.c1ccc2c(c1)c1ccccc1n2-c1ccc2sc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5nccc6c5sc5ccccc56)ccc34)ccc2c1
InChIInChI=1S/C45H27NS.C36H22N2S.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;1-5-13-31-25(9-1)26-10-2-6-14-32(26)37(31)23-17-19-35-29(21-23)30-22-24(18-20-36(30)39-35)38-33-15-7-3-11-27(33)28-12-4-8-16-34(28)38;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;1-22H;1-21H;1-6,11H;/q;;;;+1
InChIKeyIVEHGVRKROTGFY-UHFFFAOYSA-N
XLogP30.69
TPSA82.70 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms137
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001796.18
LogP ≤ 530.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze lithium;9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;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
CID 157207420
CID 157207420
CID 157271935
CID 157271935
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
lithium;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4,5-dimethylquinoline;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-propan-2-ylthieno[3,2-d]pyrimidine;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;bis(iridium);quinolin-1-ium-8-olate
CID 157467923
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
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

Frequently Asked Questions

What is the IUPAC name of lithium;9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;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;9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;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 158815185) is lithium;9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;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;9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;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;9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;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.c1ccc2c(c1)c1ccccc1n2-c1ccc2sc3c(-n4c5ccccc5c5ccccc54)nccc3c2c1.c1ccc2c(c1)c1ccccc1n2-c1ccc2sc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5nccc6c5sc5ccccc56)ccc34)ccc2c1.
What is the InChIKey of lithium;9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;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 IVEHGVRKROTGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27NS.C36H22N2S.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;1-5-13-31-25(9-1)26-10-2-6-14-32(26)37(31)23-17-19-35-29(21-23)30-22-24(18-20-36(30)39-35)38-33-15-7-3-11-27(33)28-12-4-8-16-34(28)38;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;1-22H;1-21H;1-6,11H;/q;;;;+1.
What are the key properties of lithium;9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;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;9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;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 1796.18 g/mol, XLogP of 30.69, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;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 158815185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).