lithium;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;quinolin-1-ium-8-olate

C154H105LiN11O+ — CID 158270395

IUPAClithium;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;quinolin-1-ium-8-olate
SMILESCCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c3ccccc23)cc1.[Li+].[O-]c1cccc2ccc[nH+]c12.c1ccc(-c2ccc(-c3cc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2cccc(-c3cc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/2C52H34N4.C41H30N2.C9H7NO.Li/c1-3-16-35(17-4-1)37-20-15-21-38(30-37)46-34-47(54-52(53-46)36-18-5-2-6-19-36)39-31-40(55-48-26-11-7-22-42(48)43-23-8-12-27-49(43)55)33-41(32-39)56-50-28-13-9-24-44(50)45-25-10-14-29-51(45)56;1-3-15-35(16-4-1)36-27-29-37(30-28-36)46-34-47(54-52(53-46)38-17-5-2-6-18-38)39-31-40(55-48-23-11-7-19-42(48)43-20-8-12-24-49(43)55)33-41(32-39)56-50-25-13-9-21-44(50)45-22-10-14-26-51(45)56;1-2-39-42-37-18-10-11-19-38(37)43(39)32-26-24-31(25-27-32)41-35-16-8-6-14-33(35)40(34-15-7-9-17-36(34)41)30-22-20-29(21-23-30)28-12-4-3-5-13-28;11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*1-34H;3-27H,2H2,1H3;1-6,11H;/q;;;;+1
InChIKeyGIYMZAJVTLMTNB-UHFFFAOYSA-N
MW2132.55 g/mol
LogP35.30
Rot. Bonds17

About lithium;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;quinolin-1-ium-8-olate

lithium;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;quinolin-1-ium-8-olate (PubChem CID 158270395) has the molecular formula C154H105LiN11O+ and a molecular weight of 2132.55 g/mol. Its IUPAC name is lithium;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;quinolin-1-ium-8-olate.

Molecular Properties

Compound Namelithium;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;quinolin-1-ium-8-olate
PubChem CID158270395
Molecular FormulaC154H105LiN11O+
Molecular Weight2132.55 g/mol
Exact Mass2130.87
IUPAC Namelithium;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;quinolin-1-ium-8-olate
SMILESCCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c3ccccc23)cc1.[Li+].[O-]c1cccc2ccc[nH+]c12.c1ccc(-c2ccc(-c3cc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2cccc(-c3cc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/2C52H34N4.C41H30N2.C9H7NO.Li/c1-3-16-35(17-4-1)37-20-15-21-38(30-37)46-34-47(54-52(53-46)36-18-5-2-6-19-36)39-31-40(55-48-26-11-7-22-42(48)43-23-8-12-27-49(43)55)33-41(32-39)56-50-28-13-9-24-44(50)45-25-10-14-29-51(45)56;1-3-15-35(16-4-1)36-27-29-37(30-28-36)46-34-47(54-52(53-46)38-17-5-2-6-18-38)39-31-40(55-48-23-11-7-19-42(48)43-20-8-12-24-49(43)55)33-41(32-39)56-50-25-13-9-21-44(50)45-22-10-14-26-51(45)56;1-2-39-42-37-18-10-11-19-38(37)43(39)32-26-24-31(25-27-32)41-35-16-8-6-14-33(35)40(34-15-7-9-17-36(34)41)30-22-20-29(21-23-30)28-12-4-3-5-13-28;11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*1-34H;3-27H,2H2,1H3;1-6,11H;/q;;;;+1
InChIKeyGIYMZAJVTLMTNB-UHFFFAOYSA-N
XLogP35.30
TPSA126.30 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds17
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002132.55
LogP ≤ 535.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze lithium;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;quinolin-1-ium-8-olate with MolForge

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Related Compounds

CID 157263688
CID 157263688
4-N,4-N-bis[2,5-dimethyl-4-(N-(3-methylphenyl)anilino)phenyl]-2,5-dimethyl-1-N-(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;1-[4,6-bis[2-(trifluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]-2-(trifluoromethyl)benzimidazole;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;tri(quinolin-8-yloxy)alumane
CID 158788116
CID 159204676
CID 159204676
CID 160364430
CID 160364430
CID 161105467
CID 161105467
CID 162149692
CID 162149692
4-[6-(1H-indol-5-yl)-9-[(3-methylphenyl)methyl]purin-2-yl]morpholine;3-[2-morpholin-4-yl-9-(naphthalen-2-ylmethyl)purin-6-yl]phenol
CID 123828189
7-[4-[3,5-Bis[4-(6-hydroxy-5-pyrimidin-5-ylindolo[2,3-b]carbazol-7-yl)phenyl]phenyl]phenyl]-5-pyrimidin-5-ylindolo[2,3-b]carbazol-6-ol
CID 132149251
2-ethyl-7-[4-[5-[7-(4-propan-2-yl-3,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,10,14,16-octaen-15-yl)-4,5-dihydro-1H-naphtho[2,1-e]benzimidazol-2-yl]hexan-2-yl]-3,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,10,14,16-octaen-15-yl]-1,5-dihydroisochromeno[3,4-e]benzimidazole
CID 134269815
Lithium 5-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate
CID 140600452
Lithium 7-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-1-yl]quinolin-1-ium-8-olate
CID 140600453
Lithium 7-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]quinolin-1-ium-8-olate
CID 140600455

Frequently Asked Questions

What is the IUPAC name of lithium;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;quinolin-1-ium-8-olate?
The IUPAC name of lithium;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;quinolin-1-ium-8-olate (CID 158270395) is lithium;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;quinolin-1-ium-8-olate.
What is the SMILES notation for lithium;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;quinolin-1-ium-8-olate?
The canonical SMILES for lithium;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;quinolin-1-ium-8-olate is CCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c3ccccc23)cc1.[Li+].[O-]c1cccc2ccc[nH+]c12.c1ccc(-c2ccc(-c3cc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2cccc(-c3cc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)nc(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of lithium;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;quinolin-1-ium-8-olate?
The InChIKey is GIYMZAJVTLMTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C52H34N4.C41H30N2.C9H7NO.Li/c1-3-16-35(17-4-1)37-20-15-21-38(30-37)46-34-47(54-52(53-46)36-18-5-2-6-19-36)39-31-40(55-48-26-11-7-22-42(48)43-23-8-12-27-49(43)55)33-41(32-39)56-50-28-13-9-24-44(50)45-25-10-14-29-51(45)56;1-3-15-35(16-4-1)36-27-29-37(30-28-36)46-34-47(54-52(53-46)38-17-5-2-6-18-38)39-31-40(55-48-23-11-7-19-42(48)43-20-8-12-24-49(43)55)33-41(32-39)56-50-25-13-9-21-44(50)45-22-10-14-26-51(45)56;1-2-39-42-37-18-10-11-19-38(37)43(39)32-26-24-31(25-27-32)41-35-16-8-6-14-33(35)40(34-15-7-9-17-36(34)41)30-22-20-29(21-23-30)28-12-4-3-5-13-28;11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*1-34H;3-27H,2H2,1H3;1-6,11H;/q;;;;+1.
What are the key properties of lithium;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;quinolin-1-ium-8-olate?
lithium;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;quinolin-1-ium-8-olate has a molecular weight of 2132.55 g/mol, XLogP of 35.30, 17 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;quinolin-1-ium-8-olate is sourced from PubChem (CID 158270395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).