10H-benzo[h]quinolin-10-ide;2-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;tetrakis(iridium);tris(2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline);2-phenylpyridine

C142H101F16Ir4N7O2-6 — CID 160990662

IUPAC10H-benzo[h]quinolin-10-ide;2-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;tetrakis(iridium);tris(2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline);2-phenylpyridine
SMILESCC1(C(F)(F)F)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.CC1(C(F)(F)F)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.CC1(C(F)(F)F)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.FC(F)(F)C1(C(F)(F)F)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.Fc1c[c-]c(-c2ccccn2)cc1.[H]/[O+]=C(/C=C(O)C(C)(C)C)C(C)(C)C.[Ir].[Ir].[Ir].[Ir].[c-]1cccc2ccc3cccnc3c12.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C24H12F6N.3C24H15F3N.C13H8N.C11H7FN.C11H8N.C11H20O2.4Ir/c25-23(26,27)22(24(28,29)30)18-7-3-2-6-16(18)17-11-9-15(13-19(17)22)21-12-10-14-5-1-4-8-20(14)31-21;3*1-23(24(25,26)27)19-8-4-3-7-17(19)18-12-10-16(14-20(18)23)22-13-11-15-6-2-5-9-21(15)28-22;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-10(2,3)8(12)7-9(13)11(4,5)6;;;;/h1-8,10-13H;3*2-9,11-14H,1H3;1-5,7-9H;1-4,6-8H;1-6,8-9H;7,12H,1-6H3;;;;/q7*-1;;;;;/p+1
InChIKeyVKTKKWVYLCUPPI-UHFFFAOYSA-O
MW3010.25 g/mol
LogP38.23
Rot. Bonds7

About 10H-benzo[h]quinolin-10-ide;2-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;tetrakis(iridium);tris(2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline);2-phenylpyridine

10H-benzo[h]quinolin-10-ide;2-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;tetrakis(iridium);tris(2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline);2-phenylpyridine (PubChem CID 160990662) has the molecular formula C142H101F16Ir4N7O2-6 and a molecular weight of 3010.25 g/mol. Its IUPAC name is 10H-benzo[h]quinolin-10-ide;2-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;tetrakis(iridium);tris(2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline);2-phenylpyridine.

Molecular Properties

Compound Name10H-benzo[h]quinolin-10-ide;2-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;tetrakis(iridium);tris(2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline);2-phenylpyridine
PubChem CID160990662
Molecular FormulaC142H101F16Ir4N7O2-6
Molecular Weight3010.25 g/mol
Exact Mass3011.63
IUPAC Name10H-benzo[h]quinolin-10-ide;2-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;tetrakis(iridium);tris(2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline);2-phenylpyridine
SMILESCC1(C(F)(F)F)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.CC1(C(F)(F)F)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.CC1(C(F)(F)F)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.FC(F)(F)C1(C(F)(F)F)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.Fc1c[c-]c(-c2ccccn2)cc1.[H]/[O+]=C(/C=C(O)C(C)(C)C)C(C)(C)C.[Ir].[Ir].[Ir].[Ir].[c-]1cccc2ccc3cccnc3c12.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C24H12F6N.3C24H15F3N.C13H8N.C11H7FN.C11H8N.C11H20O2.4Ir/c25-23(26,27)22(24(28,29)30)18-7-3-2-6-16(18)17-11-9-15(13-19(17)22)21-12-10-14-5-1-4-8-20(14)31-21;3*1-23(24(25,26)27)19-8-4-3-7-17(19)18-12-10-16(14-20(18)23)22-13-11-15-6-2-5-9-21(15)28-22;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-10(2,3)8(12)7-9(13)11(4,5)6;;;;/h1-8,10-13H;3*2-9,11-14H,1H3;1-5,7-9H;1-4,6-8H;1-6,8-9H;7,12H,1-6H3;;;;/q7*-1;;;;;/p+1
InChIKeyVKTKKWVYLCUPPI-UHFFFAOYSA-O
XLogP38.23
TPSA131.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms171
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003010.25
LogP ≤ 538.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 10H-benzo[h]quinolin-10-ide;2-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;tetrakis(iridium);tris(2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline);2-phenylpyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10H-benzo[h]quinolin-10-ide;2-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;tetrakis(iridium);tris(2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline);2-phenylpyridine?
The IUPAC name of 10H-benzo[h]quinolin-10-ide;2-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;tetrakis(iridium);tris(2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline);2-phenylpyridine (CID 160990662) is 10H-benzo[h]quinolin-10-ide;2-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;tetrakis(iridium);tris(2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline);2-phenylpyridine.
What is the SMILES notation for 10H-benzo[h]quinolin-10-ide;2-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;tetrakis(iridium);tris(2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline);2-phenylpyridine?
The canonical SMILES for 10H-benzo[h]quinolin-10-ide;2-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;tetrakis(iridium);tris(2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline);2-phenylpyridine is CC1(C(F)(F)F)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.CC1(C(F)(F)F)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.CC1(C(F)(F)F)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.FC(F)(F)C1(C(F)(F)F)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.Fc1c[c-]c(-c2ccccn2)cc1.[H]/[O+]=C(/C=C(O)C(C)(C)C)C(C)(C)C.[Ir].[Ir].[Ir].[Ir].[c-]1cccc2ccc3cccnc3c12.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 10H-benzo[h]quinolin-10-ide;2-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;tetrakis(iridium);tris(2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline);2-phenylpyridine?
The InChIKey is VKTKKWVYLCUPPI-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H12F6N.3C24H15F3N.C13H8N.C11H7FN.C11H8N.C11H20O2.4Ir/c25-23(26,27)22(24(28,29)30)18-7-3-2-6-16(18)17-11-9-15(13-19(17)22)21-12-10-14-5-1-4-8-20(14)31-21;3*1-23(24(25,26)27)19-8-4-3-7-17(19)18-12-10-16(14-20(18)23)22-13-11-15-6-2-5-9-21(15)28-22;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-10(2,3)8(12)7-9(13)11(4,5)6;;;;/h1-8,10-13H;3*2-9,11-14H,1H3;1-5,7-9H;1-4,6-8H;1-6,8-9H;7,12H,1-6H3;;;;/q7*-1;;;;;/p+1.
What are the key properties of 10H-benzo[h]quinolin-10-ide;2-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;tetrakis(iridium);tris(2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline);2-phenylpyridine?
10H-benzo[h]quinolin-10-ide;2-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;tetrakis(iridium);tris(2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline);2-phenylpyridine has a molecular weight of 3010.25 g/mol, XLogP of 38.23, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10H-benzo[h]quinolin-10-ide;2-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;tetrakis(iridium);tris(2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline);2-phenylpyridine is sourced from PubChem (CID 160990662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).