10H-benzo[h]quinolin-10-ide;2-[6,8-difluoro-9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]pyridine;tetrakis(iridium);2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-5-(trifluoromethyl)pyridine;bis(2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline);2-phenylpyridine;pyridine-2-carboxylic acid

C120H73F20Ir4N7O2-6 — CID 157177589

IUPAC10H-benzo[h]quinolin-10-ide;2-[6,8-difluoro-9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]pyridine;tetrakis(iridium);2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-5-(trifluoromethyl)pyridine;bis(2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline);2-phenylpyridine;pyridine-2-carboxylic acid
SMILESCC1(C(F)(F)F)c2cc(-c3ccc(C(F)(F)F)cn3)[c-]cc2-c2ccc(C(F)(F)F)cc21.CC1(C(F)(F)F)c2cc(-c3ccccn3)[c-]cc2-c2cc(F)cc(F)c21.CC1(C(F)(F)F)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.CC1(C(F)(F)F)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[c-]1cccc2ccc3cccnc3c12.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/2C24H15F3N.C22H11F9N.C20H11F5N.C13H8N.C11H8N.C6H5NO2.4Ir/c2*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;1-19(22(29,30)31)16-8-11(18-7-4-13(10-32-18)21(26,27)28)2-5-14(16)15-6-3-12(9-17(15)19)20(23,24)25;1-19(20(23,24)25)15-8-11(17-4-2-3-7-26-17)5-6-13(15)14-9-12(21)10-16(22)18(14)19;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;1-2-6-10(7-3-1)11-8-4-5-9-12-11;8-6(9)5-3-1-2-4-7-5;;;;/h2*2-9,11-14H,1H3;3-10H,1H3;2-4,6-10H,1H3;1-5,7-9H;1-6,8-9H;1-4H,(H,8,9);;;;/q6*-1;;;;;
InChIKeyPXTRBFQESQSWEL-UHFFFAOYSA-N
MW2793.78 g/mol
LogP32.72
Rot. Bonds6

About 10H-benzo[h]quinolin-10-ide;2-[6,8-difluoro-9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]pyridine;tetrakis(iridium);2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-5-(trifluoromethyl)pyridine;bis(2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline);2-phenylpyridine;pyridine-2-carboxylic acid

10H-benzo[h]quinolin-10-ide;2-[6,8-difluoro-9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]pyridine;tetrakis(iridium);2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-5-(trifluoromethyl)pyridine;bis(2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline);2-phenylpyridine;pyridine-2-carboxylic acid (PubChem CID 157177589) has the molecular formula C120H73F20Ir4N7O2-6 and a molecular weight of 2793.78 g/mol. Its IUPAC name is 10H-benzo[h]quinolin-10-ide;2-[6,8-difluoro-9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]pyridine;tetrakis(iridium);2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-5-(trifluoromethyl)pyridine;bis(2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline);2-phenylpyridine;pyridine-2-carboxylic acid.

Molecular Properties

Compound Name10H-benzo[h]quinolin-10-ide;2-[6,8-difluoro-9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]pyridine;tetrakis(iridium);2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-5-(trifluoromethyl)pyridine;bis(2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline);2-phenylpyridine;pyridine-2-carboxylic acid
PubChem CID157177589
Molecular FormulaC120H73F20Ir4N7O2-6
Molecular Weight2793.78 g/mol
Exact Mass2795.41
IUPAC Name10H-benzo[h]quinolin-10-ide;2-[6,8-difluoro-9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]pyridine;tetrakis(iridium);2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-5-(trifluoromethyl)pyridine;bis(2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline);2-phenylpyridine;pyridine-2-carboxylic acid
SMILESCC1(C(F)(F)F)c2cc(-c3ccc(C(F)(F)F)cn3)[c-]cc2-c2ccc(C(F)(F)F)cc21.CC1(C(F)(F)F)c2cc(-c3ccccn3)[c-]cc2-c2cc(F)cc(F)c21.CC1(C(F)(F)F)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.CC1(C(F)(F)F)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[c-]1cccc2ccc3cccnc3c12.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/2C24H15F3N.C22H11F9N.C20H11F5N.C13H8N.C11H8N.C6H5NO2.4Ir/c2*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;1-19(22(29,30)31)16-8-11(18-7-4-13(10-32-18)21(26,27)28)2-5-14(16)15-6-3-12(9-17(15)19)20(23,24)25;1-19(20(23,24)25)15-8-11(17-4-2-3-7-26-17)5-6-13(15)14-9-12(21)10-16(22)18(14)19;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;1-2-6-10(7-3-1)11-8-4-5-9-12-11;8-6(9)5-3-1-2-4-7-5;;;;/h2*2-9,11-14H,1H3;3-10H,1H3;2-4,6-10H,1H3;1-5,7-9H;1-6,8-9H;1-4H,(H,8,9);;;;/q6*-1;;;;;
InChIKeyPXTRBFQESQSWEL-UHFFFAOYSA-N
XLogP32.72
TPSA127.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms153
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002793.78
LogP ≤ 532.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 10H-benzo[h]quinolin-10-ide;2-[6,8-difluoro-9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]pyridine;tetrakis(iridium);2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-5-(trifluoromethyl)pyridine;bis(2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline);2-phenylpyridine;pyridine-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10H-benzo[h]quinolin-10-ide;2-[6,8-difluoro-9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]pyridine;tetrakis(iridium);2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-5-(trifluoromethyl)pyridine;bis(2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline);2-phenylpyridine;pyridine-2-carboxylic acid?
The IUPAC name of 10H-benzo[h]quinolin-10-ide;2-[6,8-difluoro-9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]pyridine;tetrakis(iridium);2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-5-(trifluoromethyl)pyridine;bis(2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline);2-phenylpyridine;pyridine-2-carboxylic acid (CID 157177589) is 10H-benzo[h]quinolin-10-ide;2-[6,8-difluoro-9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]pyridine;tetrakis(iridium);2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-5-(trifluoromethyl)pyridine;bis(2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline);2-phenylpyridine;pyridine-2-carboxylic acid.
What is the SMILES notation for 10H-benzo[h]quinolin-10-ide;2-[6,8-difluoro-9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]pyridine;tetrakis(iridium);2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-5-(trifluoromethyl)pyridine;bis(2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline);2-phenylpyridine;pyridine-2-carboxylic acid?
The canonical SMILES for 10H-benzo[h]quinolin-10-ide;2-[6,8-difluoro-9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]pyridine;tetrakis(iridium);2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-5-(trifluoromethyl)pyridine;bis(2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline);2-phenylpyridine;pyridine-2-carboxylic acid is CC1(C(F)(F)F)c2cc(-c3ccc(C(F)(F)F)cn3)[c-]cc2-c2ccc(C(F)(F)F)cc21.CC1(C(F)(F)F)c2cc(-c3ccccn3)[c-]cc2-c2cc(F)cc(F)c21.CC1(C(F)(F)F)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.CC1(C(F)(F)F)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[c-]1cccc2ccc3cccnc3c12.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 10H-benzo[h]quinolin-10-ide;2-[6,8-difluoro-9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]pyridine;tetrakis(iridium);2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-5-(trifluoromethyl)pyridine;bis(2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline);2-phenylpyridine;pyridine-2-carboxylic acid?
The InChIKey is PXTRBFQESQSWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H15F3N.C22H11F9N.C20H11F5N.C13H8N.C11H8N.C6H5NO2.4Ir/c2*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;1-19(22(29,30)31)16-8-11(18-7-4-13(10-32-18)21(26,27)28)2-5-14(16)15-6-3-12(9-17(15)19)20(23,24)25;1-19(20(23,24)25)15-8-11(17-4-2-3-7-26-17)5-6-13(15)14-9-12(21)10-16(22)18(14)19;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;1-2-6-10(7-3-1)11-8-4-5-9-12-11;8-6(9)5-3-1-2-4-7-5;;;;/h2*2-9,11-14H,1H3;3-10H,1H3;2-4,6-10H,1H3;1-5,7-9H;1-6,8-9H;1-4H,(H,8,9);;;;/q6*-1;;;;;.
What are the key properties of 10H-benzo[h]quinolin-10-ide;2-[6,8-difluoro-9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]pyridine;tetrakis(iridium);2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-5-(trifluoromethyl)pyridine;bis(2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline);2-phenylpyridine;pyridine-2-carboxylic acid?
10H-benzo[h]quinolin-10-ide;2-[6,8-difluoro-9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]pyridine;tetrakis(iridium);2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-5-(trifluoromethyl)pyridine;bis(2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline);2-phenylpyridine;pyridine-2-carboxylic acid has a molecular weight of 2793.78 g/mol, XLogP of 32.72, 6 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-[6,8-difluoro-9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]pyridine;tetrakis(iridium);2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-5-(trifluoromethyl)pyridine;bis(2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline);2-phenylpyridine;pyridine-2-carboxylic acid is sourced from PubChem (CID 157177589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).