lithium;3,9-bis(9-phenylcarbazol-3-yl)carbazole;2,4-diphenyl-6-[3-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene;quinolin-1-ium-8-olate

C144H93LiN7OS2+ — CID 158813935

IUPAClithium;3,9-bis(9-phenylcarbazol-3-yl)carbazole;2,4-diphenyl-6-[3-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene;quinolin-1-ium-8-olate
SMILES[Li+].[O-]c1cccc2ccc[nH+]c12.c1ccc(-c2ccc(-c3cccc4c3sc3c(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cccc34)cc2)cc1.c1ccc(-c2cccc3c2sc2c(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)cccc23)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C48H31N3.C45H29N3S.C42H26S.C9H7NO.Li/c1-3-13-34(14-4-1)49-43-20-10-7-17-37(43)40-29-32(23-26-46(40)49)33-24-27-47-41(30-33)38-18-8-12-22-45(38)51(47)36-25-28-48-42(31-36)39-19-9-11-21-44(39)50(48)35-15-5-2-6-16-35;1-4-13-30(14-5-1)31-25-27-32(28-26-31)37-21-11-23-39-40-24-12-22-38(42(40)49-41(37)39)35-19-10-20-36(29-35)45-47-43(33-15-6-2-7-16-33)46-44(48-45)34-17-8-3-9-18-34;1-2-11-27(12-3-1)31-19-9-21-38-39-22-10-20-32(42(39)43-41(31)38)30-14-8-13-28(25-30)29-23-24-37-35-17-5-4-15-33(35)34-16-6-7-18-36(34)40(37)26-29;11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-31H;1-29H;1-26H;1-6,11H;/q;;;;+1
InChIKeyIVALXRYATIERQW-UHFFFAOYSA-N
MW2008.45 g/mol
LogP35.13
Rot. Bonds13

About lithium;3,9-bis(9-phenylcarbazol-3-yl)carbazole;2,4-diphenyl-6-[3-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene;quinolin-1-ium-8-olate

lithium;3,9-bis(9-phenylcarbazol-3-yl)carbazole;2,4-diphenyl-6-[3-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene;quinolin-1-ium-8-olate (PubChem CID 158813935) has the molecular formula C144H93LiN7OS2+ and a molecular weight of 2008.45 g/mol. Its IUPAC name is lithium;3,9-bis(9-phenylcarbazol-3-yl)carbazole;2,4-diphenyl-6-[3-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene;quinolin-1-ium-8-olate.

Molecular Properties

Compound Namelithium;3,9-bis(9-phenylcarbazol-3-yl)carbazole;2,4-diphenyl-6-[3-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene;quinolin-1-ium-8-olate
PubChem CID158813935
Molecular FormulaC144H93LiN7OS2+
Molecular Weight2008.45 g/mol
Exact Mass2006.70
IUPAC Namelithium;3,9-bis(9-phenylcarbazol-3-yl)carbazole;2,4-diphenyl-6-[3-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene;quinolin-1-ium-8-olate
SMILES[Li+].[O-]c1cccc2ccc[nH+]c12.c1ccc(-c2ccc(-c3cccc4c3sc3c(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cccc34)cc2)cc1.c1ccc(-c2cccc3c2sc2c(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)cccc23)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C48H31N3.C45H29N3S.C42H26S.C9H7NO.Li/c1-3-13-34(14-4-1)49-43-20-10-7-17-37(43)40-29-32(23-26-46(40)49)33-24-27-47-41(30-33)38-18-8-12-22-45(38)51(47)36-25-28-48-42(31-36)39-19-9-11-21-44(39)50(48)35-15-5-2-6-16-35;1-4-13-30(14-5-1)31-25-27-32(28-26-31)37-21-11-23-39-40-24-12-22-38(42(40)49-41(37)39)35-19-10-20-36(29-35)45-47-43(33-15-6-2-7-16-33)46-44(48-45)34-17-8-3-9-18-34;1-2-11-27(12-3-1)31-19-9-21-38-39-22-10-20-32(42(39)43-41(31)38)30-14-8-13-28(25-30)29-23-24-37-35-17-5-4-15-33(35)34-16-6-7-18-36(34)40(37)26-29;11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-31H;1-29H;1-26H;1-6,11H;/q;;;;+1
InChIKeyIVALXRYATIERQW-UHFFFAOYSA-N
XLogP35.13
TPSA90.66 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms155
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002008.45
LogP ≤ 535.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze lithium;3,9-bis(9-phenylcarbazol-3-yl)carbazole;2,4-diphenyl-6-[3-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene;quinolin-1-ium-8-olate with MolForge

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Related Compounds

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
Lithium 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]quinolin-1-ium-8-olate
CID 140600483
Lithium 5-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate
CID 140600485
Dilithium;5-[10-(8-oxidoquinolin-1-ium-5-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate
CID 140600488
Lithium 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]quinolin-1-ium-8-olate
CID 140600506
Lithium 5-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]quinolin-1-ium-8-olate
CID 140600508
Dilithium;5-[4-[10-[4-(8-oxidoquinolin-1-ium-5-yl)phenyl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]quinolin-1-ium-8-olate
CID 140600509
Lithium 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate
CID 140600512
Dilithium;5-[12-(8-oxidoquinolin-1-ium-5-yl)-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate
CID 140600540
Lithium 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]quinolin-1-ium-8-olate
CID 140600563
Dilithium;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(8-oxidoquinolin-1-ium-5-yl)benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate
CID 140600571
Dilithium;7-[7-(8-oxidoquinolin-1-ium-7-yl)-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]anthracen-12-yl]quinolin-1-ium-8-olate
CID 140600573

Frequently Asked Questions

What is the IUPAC name of lithium;3,9-bis(9-phenylcarbazol-3-yl)carbazole;2,4-diphenyl-6-[3-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene;quinolin-1-ium-8-olate?
The IUPAC name of lithium;3,9-bis(9-phenylcarbazol-3-yl)carbazole;2,4-diphenyl-6-[3-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene;quinolin-1-ium-8-olate (CID 158813935) is lithium;3,9-bis(9-phenylcarbazol-3-yl)carbazole;2,4-diphenyl-6-[3-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene;quinolin-1-ium-8-olate.
What is the SMILES notation for lithium;3,9-bis(9-phenylcarbazol-3-yl)carbazole;2,4-diphenyl-6-[3-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene;quinolin-1-ium-8-olate?
The canonical SMILES for lithium;3,9-bis(9-phenylcarbazol-3-yl)carbazole;2,4-diphenyl-6-[3-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene;quinolin-1-ium-8-olate is [Li+].[O-]c1cccc2ccc[nH+]c12.c1ccc(-c2ccc(-c3cccc4c3sc3c(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cccc34)cc2)cc1.c1ccc(-c2cccc3c2sc2c(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)cccc23)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1.
What is the InChIKey of lithium;3,9-bis(9-phenylcarbazol-3-yl)carbazole;2,4-diphenyl-6-[3-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene;quinolin-1-ium-8-olate?
The InChIKey is IVALXRYATIERQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N3.C45H29N3S.C42H26S.C9H7NO.Li/c1-3-13-34(14-4-1)49-43-20-10-7-17-37(43)40-29-32(23-26-46(40)49)33-24-27-47-41(30-33)38-18-8-12-22-45(38)51(47)36-25-28-48-42(31-36)39-19-9-11-21-44(39)50(48)35-15-5-2-6-16-35;1-4-13-30(14-5-1)31-25-27-32(28-26-31)37-21-11-23-39-40-24-12-22-38(42(40)49-41(37)39)35-19-10-20-36(29-35)45-47-43(33-15-6-2-7-16-33)46-44(48-45)34-17-8-3-9-18-34;1-2-11-27(12-3-1)31-19-9-21-38-39-22-10-20-32(42(39)43-41(31)38)30-14-8-13-28(25-30)29-23-24-37-35-17-5-4-15-33(35)34-16-6-7-18-36(34)40(37)26-29;11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-31H;1-29H;1-26H;1-6,11H;/q;;;;+1.
What are the key properties of lithium;3,9-bis(9-phenylcarbazol-3-yl)carbazole;2,4-diphenyl-6-[3-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene;quinolin-1-ium-8-olate?
lithium;3,9-bis(9-phenylcarbazol-3-yl)carbazole;2,4-diphenyl-6-[3-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene;quinolin-1-ium-8-olate has a molecular weight of 2008.45 g/mol, XLogP of 35.13, 13 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;3,9-bis(9-phenylcarbazol-3-yl)carbazole;2,4-diphenyl-6-[3-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene;quinolin-1-ium-8-olate is sourced from PubChem (CID 158813935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).