10H-benzo[h]quinolin-10-ide;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;1-(4-ethylbenzene-6-id-1-yl)isoquinoline;tetrakis(4-hydroxypent-3-en-2-ylideneoxidanium);hexakis(iridium);1-(4-methoxybenzene-6-id-1-yl)isoquinoline;1-(4-methylbenzene-6-id-1-yl)isoquinoline

C107H98F7Ir6N7O9-2 — CID 159522622

About 10H-benzo[h]quinolin-10-ide;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;1-(4-ethylbenzene-6-id-1-yl)isoquinoline;tetrakis(4-hydroxypent-3-en-2-ylideneoxidanium);hexakis(iridium);1-(4-methoxybenzene-6-id-1-yl)isoquinoline;1-(4-methylbenzene-6-id-1-yl)isoquinoline

10H-benzo[h]quinolin-10-ide;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;1-(4-ethylbenzene-6-id-1-yl)isoquinoline;tetrakis(4-hydroxypent-3-en-2-ylideneoxidanium);hexakis(iridium);1-(4-methoxybenzene-6-id-1-yl)isoquinoline;1-(4-methylbenzene-6-id-1-yl)isoquinoline (PubChem CID 159522622) has the molecular formula C107H98F7Ir6N7O9-2 and a molecular weight of 2912.29 g/mol. Its IUPAC name is 10H-benzo[h]quinolin-10-ide;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;1-(4-ethylbenzene-6-id-1-yl)isoquinoline;tetrakis(4-hydroxypent-3-en-2-ylideneoxidanium);hexakis(iridium);1-(4-methoxybenzene-6-id-1-yl)isoquinoline;1-(4-methylbenzene-6-id-1-yl)isoquinoline.

Molecular Properties

• Compound Name: 10H-benzo[h]quinolin-10-ide;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;1-(4-ethylbenzene-6-id-1-yl)isoquinoline;tetrakis(4-hydroxypent-3-en-2-ylideneoxidanium);hexakis(iridium);1-(4-methoxybenzene-6-id-1-yl)isoquinoline;1-(4-methylbenzene-6-id-1-yl)isoquinoline
• PubChem CID: 159522622
• Molecular Formula: C107H98F7Ir6N7O9-2
• Molecular Weight: 2912.29 g/mol
• Exact Mass: 2915.51
• IUPAC Name: 10H-benzo[h]quinolin-10-ide;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;1-(4-ethylbenzene-6-id-1-yl)isoquinoline;tetrakis(4-hydroxypent-3-en-2-ylideneoxidanium);hexakis(iridium);1-(4-methoxybenzene-6-id-1-yl)isoquinoline;1-(4-methylbenzene-6-id-1-yl)isoquinoline
• SMILES: CCc1c[c-]c(-c2nccc3ccccc23)cc1.CN(C)c1ccnc(-c2[c-]cc(F)cc2F)c1.COc1c[c-]c(-c2nccc3ccccc23)cc1.Cc1c[c-]c(-c2nccc3ccccc23)cc1.Fc1c[c-]c(-c2ccccn2)c(F)c1C(F)(F)F.[H]/[O+]=C(\C)C=C(C)O.[H]/[O+]=C(\C)C=C(C)O.[H]/[O+]=C(\C)C=C(C)O.[H]/[O+]=C(\C)C=C(C)O.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cccc2ccc3cccnc3c12
• InChI: InChI=1S/C17H14N.C16H12NO.C16H12N.C13H11F2N2.C13H8N.C12H5F5N.4C5H8O2.6Ir/c1-2-13-7-9-15(10-8-13)17-16-6-4-3-5-14(16)11-12-18-17;1-18-14-8-6-13(7-9-14)16-15-5-3-2-4-12(15)10-11-17-16;1-12-6-8-14(9-7-12)16-15-5-3-2-4-13(15)10-11-17-16;1-17(2)10-5-6-16-13(8-10)11-4-3-9(14)7-12(11)15;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;13-8-5-4-7(9-3-1-2-6-18-9)11(14)10(8)12(15,16)17;4*1-4(6)3-5(2)7;;;;;;/h3-9,11-12H,2H2,1H3;2-6,8-11H,1H3;2-8,10-11H,1H3;3,5-8H,1-2H3;1-5,7-9H;1-3,5-6H;4*3,6H,1-2H3;;;;;;/q6*-1;;;;;;;;;;/p+4
• InChIKey: XPDZMCMFNHSNIH-UHFFFAOYSA-R
• XLogP: 25.95
• TPSA: 256.33 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2912.29
LogP ≤ 5	25.95
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

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'}

Frequently Asked Questions

What is the IUPAC name of 10H-benzo[h]quinolin-10-ide;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;1-(4-ethylbenzene-6-id-1-yl)isoquinoline;tetrakis(4-hydroxypent-3-en-2-ylideneoxidanium);hexakis(iridium);1-(4-methoxybenzene-6-id-1-yl)isoquinoline;1-(4-methylbenzene-6-id-1-yl)isoquinoline?

The IUPAC name of 10H-benzo[h]quinolin-10-ide;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;1-(4-ethylbenzene-6-id-1-yl)isoquinoline;tetrakis(4-hydroxypent-3-en-2-ylideneoxidanium);hexakis(iridium);1-(4-methoxybenzene-6-id-1-yl)isoquinoline;1-(4-methylbenzene-6-id-1-yl)isoquinoline (CID 159522622) is 10H-benzo[h]quinolin-10-ide;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;1-(4-ethylbenzene-6-id-1-yl)isoquinoline;tetrakis(4-hydroxypent-3-en-2-ylideneoxidanium);hexakis(iridium);1-(4-methoxybenzene-6-id-1-yl)isoquinoline;1-(4-methylbenzene-6-id-1-yl)isoquinoline.

What is the SMILES notation for 10H-benzo[h]quinolin-10-ide;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;1-(4-ethylbenzene-6-id-1-yl)isoquinoline;tetrakis(4-hydroxypent-3-en-2-ylideneoxidanium);hexakis(iridium);1-(4-methoxybenzene-6-id-1-yl)isoquinoline;1-(4-methylbenzene-6-id-1-yl)isoquinoline?

The canonical SMILES for 10H-benzo[h]quinolin-10-ide;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;1-(4-ethylbenzene-6-id-1-yl)isoquinoline;tetrakis(4-hydroxypent-3-en-2-ylideneoxidanium);hexakis(iridium);1-(4-methoxybenzene-6-id-1-yl)isoquinoline;1-(4-methylbenzene-6-id-1-yl)isoquinoline is CCc1c[c-]c(-c2nccc3ccccc23)cc1.CN(C)c1ccnc(-c2[c-]cc(F)cc2F)c1.COc1c[c-]c(-c2nccc3ccccc23)cc1.Cc1c[c-]c(-c2nccc3ccccc23)cc1.Fc1c[c-]c(-c2ccccn2)c(F)c1C(F)(F)F.[H]/[O+]=C(\C)C=C(C)O.[H]/[O+]=C(\C)C=C(C)O.[H]/[O+]=C(\C)C=C(C)O.[H]/[O+]=C(\C)C=C(C)O.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cccc2ccc3cccnc3c12.

What is the InChIKey of 10H-benzo[h]quinolin-10-ide;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;1-(4-ethylbenzene-6-id-1-yl)isoquinoline;tetrakis(4-hydroxypent-3-en-2-ylideneoxidanium);hexakis(iridium);1-(4-methoxybenzene-6-id-1-yl)isoquinoline;1-(4-methylbenzene-6-id-1-yl)isoquinoline?

The InChIKey is XPDZMCMFNHSNIH-UHFFFAOYSA-R. The full InChI is InChI=1S/C17H14N.C16H12NO.C16H12N.C13H11F2N2.C13H8N.C12H5F5N.4C5H8O2.6Ir/c1-2-13-7-9-15(10-8-13)17-16-6-4-3-5-14(16)11-12-18-17;1-18-14-8-6-13(7-9-14)16-15-5-3-2-4-12(15)10-11-17-16;1-12-6-8-14(9-7-12)16-15-5-3-2-4-13(15)10-11-17-16;1-17(2)10-5-6-16-13(8-10)11-4-3-9(14)7-12(11)15;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;13-8-5-4-7(9-3-1-2-6-18-9)11(14)10(8)12(15,16)17;4*1-4(6)3-5(2)7;;;;;;/h3-9,11-12H,2H2,1H3;2-6,8-11H,1H3;2-8,10-11H,1H3;3,5-8H,1-2H3;1-5,7-9H;1-3,5-6H;4*3,6H,1-2H3;;;;;;/q6*-1;;;;;;;;;;/p+4.

What are the key properties of 10H-benzo[h]quinolin-10-ide;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;1-(4-ethylbenzene-6-id-1-yl)isoquinoline;tetrakis(4-hydroxypent-3-en-2-ylideneoxidanium);hexakis(iridium);1-(4-methoxybenzene-6-id-1-yl)isoquinoline;1-(4-methylbenzene-6-id-1-yl)isoquinoline?

10H-benzo[h]quinolin-10-ide;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;1-(4-ethylbenzene-6-id-1-yl)isoquinoline;tetrakis(4-hydroxypent-3-en-2-ylideneoxidanium);hexakis(iridium);1-(4-methoxybenzene-6-id-1-yl)isoquinoline;1-(4-methylbenzene-6-id-1-yl)isoquinoline has a molecular weight of 2912.29 g/mol, XLogP of 25.95, 12 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 10H-benzo[h]quinolin-10-ide;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;1-(4-ethylbenzene-6-id-1-yl)isoquinoline;tetrakis(4-hydroxypent-3-en-2-ylideneoxidanium);hexakis(iridium);1-(4-methoxybenzene-6-id-1-yl)isoquinoline;1-(4-methylbenzene-6-id-1-yl)isoquinoline is sourced from PubChem (CID 159522622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).