10H-benzo[h]quinolin-10-ide;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;4-hydroxypent-3-en-2-one;bis(iridium);iridium(3+);1-[3-(2-methylpropyl)phenyl]-3-phenylbenzene-4-ide;2-(3-phenylbenzene-6-id-1-yl)pyridine

C75H63Ir3N4O2-2 — CID 158524458

About 10H-benzo[h]quinolin-10-ide;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;4-hydroxypent-3-en-2-one;bis(iridium);iridium(3+);1-[3-(2-methylpropyl)phenyl]-3-phenylbenzene-4-ide;2-(3-phenylbenzene-6-id-1-yl)pyridine

10H-benzo[h]quinolin-10-ide;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;4-hydroxypent-3-en-2-one;bis(iridium);iridium(3+);1-[3-(2-methylpropyl)phenyl]-3-phenylbenzene-4-ide;2-(3-phenylbenzene-6-id-1-yl)pyridine (PubChem CID 158524458) has the molecular formula C75H63Ir3N4O2-2 and a molecular weight of 1629.01 g/mol. Its IUPAC name is 10H-benzo[h]quinolin-10-ide;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;4-hydroxypent-3-en-2-one;bis(iridium);iridium(3+);1-[3-(2-methylpropyl)phenyl]-3-phenylbenzene-4-ide;2-(3-phenylbenzene-6-id-1-yl)pyridine.

Molecular Properties

• Compound Name: 10H-benzo[h]quinolin-10-ide;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;4-hydroxypent-3-en-2-one;bis(iridium);iridium(3+);1-[3-(2-methylpropyl)phenyl]-3-phenylbenzene-4-ide;2-(3-phenylbenzene-6-id-1-yl)pyridine
• PubChem CID: 158524458
• Molecular Formula: C75H63Ir3N4O2-2
• Molecular Weight: 1629.01 g/mol
• Exact Mass: 1630.38
• IUPAC Name: 10H-benzo[h]quinolin-10-ide;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;4-hydroxypent-3-en-2-one;bis(iridium);iridium(3+);1-[3-(2-methylpropyl)phenyl]-3-phenylbenzene-4-ide;2-(3-phenylbenzene-6-id-1-yl)pyridine
• SMILES: CC(=O)C=C(C)O.CC(C)Cc1cccc(-c2cc[c-]c(-c3[c-]cccc3)c2)c1.CC1(C)c2ccccc2-c2c[c-]c(-n3cccn3)cc21.[Ir+3].[Ir].[Ir].[c-]1ccc(-c2ccccc2)cc1-c1ccccn1.[c-]1cccc2ccc3cccnc3c12
• InChI: InChI=1S/C22H20.C18H15N2.C17H12N.C13H8N.C5H8O2.3Ir/c1-17(2)14-18-8-6-11-20(15-18)22-13-7-12-21(16-22)19-9-4-3-5-10-19;1-18(2)16-7-4-3-6-14(16)15-9-8-13(12-17(15)18)20-11-5-10-19-20;1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;1-4(6)3-5(2)7;;;/h3-9,11,13,15-17H,14H2,1-2H3;3-7,9-12H,1-2H3;1-9,11-13H;1-5,7-9H;3,6H,1-2H3;;;/q-2;3*-1;;;;+3
• InChIKey: ZZYTYQKFTYIOBO-UHFFFAOYSA-N
• XLogP: 18.23
• TPSA: 80.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1629.01
LogP ≤ 5	18.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10H-benzo[h]quinolin-10-ide;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;4-hydroxypent-3-en-2-one;bis(iridium);iridium(3+);1-[3-(2-methylpropyl)phenyl]-3-phenylbenzene-4-ide;2-(3-phenylbenzene-6-id-1-yl)pyridine?

The IUPAC name of 10H-benzo[h]quinolin-10-ide;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;4-hydroxypent-3-en-2-one;bis(iridium);iridium(3+);1-[3-(2-methylpropyl)phenyl]-3-phenylbenzene-4-ide;2-(3-phenylbenzene-6-id-1-yl)pyridine (CID 158524458) is 10H-benzo[h]quinolin-10-ide;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;4-hydroxypent-3-en-2-one;bis(iridium);iridium(3+);1-[3-(2-methylpropyl)phenyl]-3-phenylbenzene-4-ide;2-(3-phenylbenzene-6-id-1-yl)pyridine.

What is the SMILES notation for 10H-benzo[h]quinolin-10-ide;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;4-hydroxypent-3-en-2-one;bis(iridium);iridium(3+);1-[3-(2-methylpropyl)phenyl]-3-phenylbenzene-4-ide;2-(3-phenylbenzene-6-id-1-yl)pyridine?

The canonical SMILES for 10H-benzo[h]quinolin-10-ide;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;4-hydroxypent-3-en-2-one;bis(iridium);iridium(3+);1-[3-(2-methylpropyl)phenyl]-3-phenylbenzene-4-ide;2-(3-phenylbenzene-6-id-1-yl)pyridine is CC(=O)C=C(C)O.CC(C)Cc1cccc(-c2cc[c-]c(-c3[c-]cccc3)c2)c1.CC1(C)c2ccccc2-c2c[c-]c(-n3cccn3)cc21.[Ir+3].[Ir].[Ir].[c-]1ccc(-c2ccccc2)cc1-c1ccccn1.[c-]1cccc2ccc3cccnc3c12.

What is the InChIKey of 10H-benzo[h]quinolin-10-ide;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;4-hydroxypent-3-en-2-one;bis(iridium);iridium(3+);1-[3-(2-methylpropyl)phenyl]-3-phenylbenzene-4-ide;2-(3-phenylbenzene-6-id-1-yl)pyridine?

The InChIKey is ZZYTYQKFTYIOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20.C18H15N2.C17H12N.C13H8N.C5H8O2.3Ir/c1-17(2)14-18-8-6-11-20(15-18)22-13-7-12-21(16-22)19-9-4-3-5-10-19;1-18(2)16-7-4-3-6-14(16)15-9-8-13(12-17(15)18)20-11-5-10-19-20;1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;1-4(6)3-5(2)7;;;/h3-9,11,13,15-17H,14H2,1-2H3;3-7,9-12H,1-2H3;1-9,11-13H;1-5,7-9H;3,6H,1-2H3;;;/q-2;3*-1;;;;+3.

What are the key properties of 10H-benzo[h]quinolin-10-ide;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;4-hydroxypent-3-en-2-one;bis(iridium);iridium(3+);1-[3-(2-methylpropyl)phenyl]-3-phenylbenzene-4-ide;2-(3-phenylbenzene-6-id-1-yl)pyridine?

10H-benzo[h]quinolin-10-ide;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;4-hydroxypent-3-en-2-one;bis(iridium);iridium(3+);1-[3-(2-methylpropyl)phenyl]-3-phenylbenzene-4-ide;2-(3-phenylbenzene-6-id-1-yl)pyridine has a molecular weight of 1629.01 g/mol, XLogP of 18.23, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 10H-benzo[h]quinolin-10-ide;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;4-hydroxypent-3-en-2-one;bis(iridium);iridium(3+);1-[3-(2-methylpropyl)phenyl]-3-phenylbenzene-4-ide;2-(3-phenylbenzene-6-id-1-yl)pyridine is sourced from PubChem (CID 158524458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).