lithium;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-phenylphenyl)-5-(trifluoromethyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-phenyl-5-(trifluoromethyl)pyridine;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(4-phenylphenyl)carbazole;bis(iridium);methane;quinolin-1-ium-8-olate

C133H131F6Ir2LiN7O5- — CID 157162260

IUPAClithium;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-phenylphenyl)-5-(trifluoromethyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-phenyl-5-(trifluoromethyl)pyridine;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(4-phenylphenyl)carbazole;bis(iridium);methane;quinolin-1-ium-8-olate
SMILESC.CC(C)(C)c1cc(-c2cc(-c3ccc(-c4ccccc4)cc3)c(C(F)(F)F)cn2)[c-]c2ccccc12.CC(C)(C)c1cc(-c2cc(-c3ccccc3)c(C(F)(F)F)cn2)[c-]c2ccccc12.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.[Ir].[Ir].[Li+].[O-]c1cccc2ccc[nH+]c12.c1ccc(-c2ccc(-c3cccc4c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c34)cc2)cc1
InChIInChI=1S/C39H26N4.C32H25F3N.C26H21F3N.2C13H24O2.C9H7NO.CH4.2Ir.Li/c1-4-13-27(14-5-1)28-23-25-29(26-24-28)32-20-12-21-34-33-19-10-11-22-35(33)43(36(32)34)39-41-37(30-15-6-2-7-16-30)40-38(42-39)31-17-8-3-9-18-31;1-31(2,3)28-18-25(17-24-11-7-8-12-26(24)28)30-19-27(29(20-36-30)32(33,34)35)23-15-13-22(14-16-23)21-9-5-4-6-10-21;1-25(2,3)22-14-19(13-18-11-7-8-12-20(18)22)24-15-21(17-9-5-4-6-10-17)23(16-30-24)26(27,28)29;2*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;11-8-5-1-3-7-4-2-6-10-9(7)8;;;;/h1-26H;4-16,18-20H,1-3H3;4-12,14-16H,1-3H3;2*9-11,14H,5-8H2,1-4H3;1-6,11H;1H4;;;/q;2*-1;;;;;;;+1
InChIKeyJTOVRKFWMQLRNH-UHFFFAOYSA-N
MW2412.92 g/mol
LogP32.78
Rot. Bonds24

About lithium;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-phenylphenyl)-5-(trifluoromethyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-phenyl-5-(trifluoromethyl)pyridine;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(4-phenylphenyl)carbazole;bis(iridium);methane;quinolin-1-ium-8-olate

lithium;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-phenylphenyl)-5-(trifluoromethyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-phenyl-5-(trifluoromethyl)pyridine;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(4-phenylphenyl)carbazole;bis(iridium);methane;quinolin-1-ium-8-olate (PubChem CID 157162260) has the molecular formula C133H131F6Ir2LiN7O5- and a molecular weight of 2412.92 g/mol. Its IUPAC name is lithium;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-phenylphenyl)-5-(trifluoromethyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-phenyl-5-(trifluoromethyl)pyridine;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(4-phenylphenyl)carbazole;bis(iridium);methane;quinolin-1-ium-8-olate.

Molecular Properties

Compound Namelithium;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-phenylphenyl)-5-(trifluoromethyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-phenyl-5-(trifluoromethyl)pyridine;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(4-phenylphenyl)carbazole;bis(iridium);methane;quinolin-1-ium-8-olate
PubChem CID157162260
Molecular FormulaC133H131F6Ir2LiN7O5-
Molecular Weight2412.92 g/mol
Exact Mass2412.95
IUPAC Namelithium;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-phenylphenyl)-5-(trifluoromethyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-phenyl-5-(trifluoromethyl)pyridine;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(4-phenylphenyl)carbazole;bis(iridium);methane;quinolin-1-ium-8-olate
SMILESC.CC(C)(C)c1cc(-c2cc(-c3ccc(-c4ccccc4)cc3)c(C(F)(F)F)cn2)[c-]c2ccccc12.CC(C)(C)c1cc(-c2cc(-c3ccccc3)c(C(F)(F)F)cn2)[c-]c2ccccc12.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.[Ir].[Ir].[Li+].[O-]c1cccc2ccc[nH+]c12.c1ccc(-c2ccc(-c3cccc4c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c34)cc2)cc1
InChIInChI=1S/C39H26N4.C32H25F3N.C26H21F3N.2C13H24O2.C9H7NO.CH4.2Ir.Li/c1-4-13-27(14-5-1)28-23-25-29(26-24-28)32-20-12-21-34-33-19-10-11-22-35(33)43(36(32)34)39-41-37(30-15-6-2-7-16-30)40-38(42-39)31-17-8-3-9-18-31;1-31(2,3)28-18-25(17-24-11-7-8-12-26(24)28)30-19-27(29(20-36-30)32(33,34)35)23-15-13-22(14-16-23)21-9-5-4-6-10-21;1-25(2,3)22-14-19(13-18-11-7-8-12-20(18)22)24-15-21(17-9-5-4-6-10-17)23(16-30-24)26(27,28)29;2*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;11-8-5-1-3-7-4-2-6-10-9(7)8;;;;/h1-26H;4-16,18-20H,1-3H3;4-12,14-16H,1-3H3;2*9-11,14H,5-8H2,1-4H3;1-6,11H;1H4;;;/q;2*-1;;;;;;;+1
InChIKeyJTOVRKFWMQLRNH-UHFFFAOYSA-N
XLogP32.78
TPSA181.18 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds24
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002412.92
LogP ≤ 532.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze lithium;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-phenylphenyl)-5-(trifluoromethyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-phenyl-5-(trifluoromethyl)pyridine;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(4-phenylphenyl)carbazole;bis(iridium);methane;quinolin-1-ium-8-olate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

lithium;1-(4-tert-butylbenzene-6-id-1-yl)isoquinoline;9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;4-hydroxypent-3-en-2-one;iridium;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;quinolin-1-ium-8-olate
CID 158222243
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
Dilithium;5-[4-(4,6-diphenylpyrimidin-2-yl)-12-(8-oxidoquinolin-1-ium-5-yl)benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate
CID 140600539
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-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-(8-oxidoquinolin-1-ium-7-yl)anthracen-9-yl]quinolin-1-ium-8-olate
CID 140600579
Dilithium;5-[3-(2,6-diphenylpyrimidin-4-yl)-10-(8-oxidoquinolin-1-ium-5-yl)anthracen-9-yl]quinolin-1-ium-8-olate
CID 140600581
Dilithium;7-[2-(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 140600596
Dilithium;7-[4-(4,6-diphenylpyrimidin-2-yl)-7-(8-oxidoquinolin-1-ium-7-yl)benzo[a]anthracen-12-yl]quinolin-1-ium-8-olate
CID 140764570
Dilithium;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(8-oxidoquinolin-1-ium-7-yl)benzo[a]anthracen-12-yl]quinolin-1-ium-8-olate
CID 140764576
Lithium;2-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-4,6-bis(3,5-diphenylphenyl)-1,3,5-triazine;2-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-4,6-diphenyl-1,3,5-triazine;quinolin-1-ium-8-olate
CID 157059101
dilithium;carbanide;2-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-4,6-bis(3,5-diphenylphenyl)-1,3,5-triazine;2-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-4,6-diphenyl-1,3,5-triazine;7,7-dimethyl-5-phenyl-10-pyridin-2-yl-9H-indeno[2,1-b]carbazol-9-ide;iridium;2-phenylpyridine;quinolin-1-ium-8-olate
CID 157070758
CID 157271935
CID 157271935

Frequently Asked Questions

What is the IUPAC name of lithium;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-phenylphenyl)-5-(trifluoromethyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-phenyl-5-(trifluoromethyl)pyridine;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(4-phenylphenyl)carbazole;bis(iridium);methane;quinolin-1-ium-8-olate?
The IUPAC name of lithium;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-phenylphenyl)-5-(trifluoromethyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-phenyl-5-(trifluoromethyl)pyridine;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(4-phenylphenyl)carbazole;bis(iridium);methane;quinolin-1-ium-8-olate (CID 157162260) is lithium;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-phenylphenyl)-5-(trifluoromethyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-phenyl-5-(trifluoromethyl)pyridine;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(4-phenylphenyl)carbazole;bis(iridium);methane;quinolin-1-ium-8-olate.
What is the SMILES notation for lithium;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-phenylphenyl)-5-(trifluoromethyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-phenyl-5-(trifluoromethyl)pyridine;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(4-phenylphenyl)carbazole;bis(iridium);methane;quinolin-1-ium-8-olate?
The canonical SMILES for lithium;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-phenylphenyl)-5-(trifluoromethyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-phenyl-5-(trifluoromethyl)pyridine;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(4-phenylphenyl)carbazole;bis(iridium);methane;quinolin-1-ium-8-olate is C.CC(C)(C)c1cc(-c2cc(-c3ccc(-c4ccccc4)cc3)c(C(F)(F)F)cn2)[c-]c2ccccc12.CC(C)(C)c1cc(-c2cc(-c3ccccc3)c(C(F)(F)F)cn2)[c-]c2ccccc12.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.[Ir].[Ir].[Li+].[O-]c1cccc2ccc[nH+]c12.c1ccc(-c2ccc(-c3cccc4c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c34)cc2)cc1.
What is the InChIKey of lithium;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-phenylphenyl)-5-(trifluoromethyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-phenyl-5-(trifluoromethyl)pyridine;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(4-phenylphenyl)carbazole;bis(iridium);methane;quinolin-1-ium-8-olate?
The InChIKey is JTOVRKFWMQLRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N4.C32H25F3N.C26H21F3N.2C13H24O2.C9H7NO.CH4.2Ir.Li/c1-4-13-27(14-5-1)28-23-25-29(26-24-28)32-20-12-21-34-33-19-10-11-22-35(33)43(36(32)34)39-41-37(30-15-6-2-7-16-30)40-38(42-39)31-17-8-3-9-18-31;1-31(2,3)28-18-25(17-24-11-7-8-12-26(24)28)30-19-27(29(20-36-30)32(33,34)35)23-15-13-22(14-16-23)21-9-5-4-6-10-21;1-25(2,3)22-14-19(13-18-11-7-8-12-20(18)22)24-15-21(17-9-5-4-6-10-17)23(16-30-24)26(27,28)29;2*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;11-8-5-1-3-7-4-2-6-10-9(7)8;;;;/h1-26H;4-16,18-20H,1-3H3;4-12,14-16H,1-3H3;2*9-11,14H,5-8H2,1-4H3;1-6,11H;1H4;;;/q;2*-1;;;;;;;+1.
What are the key properties of lithium;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-phenylphenyl)-5-(trifluoromethyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-phenyl-5-(trifluoromethyl)pyridine;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(4-phenylphenyl)carbazole;bis(iridium);methane;quinolin-1-ium-8-olate?
lithium;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-phenylphenyl)-5-(trifluoromethyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-phenyl-5-(trifluoromethyl)pyridine;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(4-phenylphenyl)carbazole;bis(iridium);methane;quinolin-1-ium-8-olate has a molecular weight of 2412.92 g/mol, XLogP of 32.78, 24 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-phenylphenyl)-5-(trifluoromethyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-phenyl-5-(trifluoromethyl)pyridine;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(4-phenylphenyl)carbazole;bis(iridium);methane;quinolin-1-ium-8-olate is sourced from PubChem (CID 157162260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).