[6-(4-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-phenylmethanone;2-(3,4-dimethylbenzene-2-id-1-yl)-4-phenylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyridine;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;nonakis(4-hydroxypent-3-en-2-one);decakis(iridium);2-(2H-naphthalen-2-id-1-yl)pyridine;1-phenylisoquinoline;4-phenyl-2-phenylquinoline;phenyl-(4-pyridin-2-ylbenzene-5-id-1-yl)methanone;phenyl-(6-pyridin-2-yl-3-pyridinyl)methanone

C261H234Ir10N12O21-10 — CID 157244808

About [6-(4-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-phenylmethanone;2-(3,4-dimethylbenzene-2-id-1-yl)-4-phenylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyridine;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;nonakis(4-hydroxypent-3-en-2-one);decakis(iridium);2-(2H-naphthalen-2-id-1-yl)pyridine;1-phenylisoquinoline;4-phenyl-2-phenylquinoline;phenyl-(4-pyridin-2-ylbenzene-5-id-1-yl)methanone;phenyl-(6-pyridin-2-yl-3-pyridinyl)methanone

[6-(4-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-phenylmethanone;2-(3,4-dimethylbenzene-2-id-1-yl)-4-phenylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyridine;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;nonakis(4-hydroxypent-3-en-2-one);decakis(iridium);2-(2H-naphthalen-2-id-1-yl)pyridine;1-phenylisoquinoline;4-phenyl-2-phenylquinoline;phenyl-(4-pyridin-2-ylbenzene-5-id-1-yl)methanone;phenyl-(6-pyridin-2-yl-3-pyridinyl)methanone (PubChem CID 157244808) has the molecular formula C261H234Ir10N12O21-10 and a molecular weight of 5796.98 g/mol. Its IUPAC name is [6-(4-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-phenylmethanone;2-(3,4-dimethylbenzene-2-id-1-yl)-4-phenylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyridine;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;nonakis(4-hydroxypent-3-en-2-one);decakis(iridium);2-(2H-naphthalen-2-id-1-yl)pyridine;1-phenylisoquinoline;4-phenyl-2-phenylquinoline;phenyl-(4-pyridin-2-ylbenzene-5-id-1-yl)methanone;phenyl-(6-pyridin-2-yl-3-pyridinyl)methanone.

Molecular Properties

• Compound Name: [6-(4-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-phenylmethanone;2-(3,4-dimethylbenzene-2-id-1-yl)-4-phenylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyridine;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;nonakis(4-hydroxypent-3-en-2-one);decakis(iridium);2-(2H-naphthalen-2-id-1-yl)pyridine;1-phenylisoquinoline;4-phenyl-2-phenylquinoline;phenyl-(4-pyridin-2-ylbenzene-5-id-1-yl)methanone;phenyl-(6-pyridin-2-yl-3-pyridinyl)methanone
• PubChem CID: 157244808
• Molecular Formula: C261H234Ir10N12O21-10
• Molecular Weight: 5796.98 g/mol
• Exact Mass: 5801.40
• IUPAC Name: [6-(4-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-phenylmethanone;2-(3,4-dimethylbenzene-2-id-1-yl)-4-phenylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyridine;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;nonakis(4-hydroxypent-3-en-2-one);decakis(iridium);2-(2H-naphthalen-2-id-1-yl)pyridine;1-phenylisoquinoline;4-phenyl-2-phenylquinoline;phenyl-(4-pyridin-2-ylbenzene-5-id-1-yl)methanone;phenyl-(6-pyridin-2-yl-3-pyridinyl)methanone
• SMILES: CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(C)(C)c1c[c-]c(-c2ccc(C(=O)c3ccccc3)cn2)cc1.CC1(C)c2ccccc2-c2c[c-]c(-c3cc4ccccc4cn3)cc21.CC1(C)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.CC1(C)c2ccccc2-c2c[c-]c(-c3ccccn3)cc21.Cc1[c-]c(-c2cc(-c3ccccc3)c3ccccc3n2)ccc1C.Cc1[c-]c(-c2ccc3ccccc3n2)cc(C)c1.O=C(c1c[c-]c(-c2ccccn2)cc1)c1ccccc1.O=C(c1ccccc1)c1ccc(-c2ccccn2)nc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2ccccc2c1-c1ccccn1.[c-]1ccccc1-c1cc(-c2ccccc2)c2ccccc2n1.[c-]1ccccc1-c1nccc2ccccc12
• InChI: InChI=1S/2C24H18N.C23H18N.C22H20NO.C21H14N.C20H16N.C18H12NO.C17H12N2O.C17H14N.2C15H10N.9C5H8O2.10Ir/c1-24(2)20-9-5-4-8-18(20)19-13-11-17(15-21(19)24)23-14-12-16-7-3-6-10-22(16)25-23;1-24(2)21-10-6-5-9-19(21)20-12-11-17(13-22(20)24)23-14-16-7-3-4-8-18(16)15-25-23;1-16-12-13-19(14-17(16)2)23-15-21(18-8-4-3-5-9-18)20-10-6-7-11-22(20)24-23;1-22(2,3)19-12-9-16(10-13-19)20-14-11-18(15-23-20)21(24)17-7-5-4-6-8-17;1-3-9-16(10-4-1)19-15-21(17-11-5-2-6-12-17)22-20-14-8-7-13-18(19)20;1-20(2)17-8-4-3-7-15(17)16-11-10-14(13-18(16)20)19-9-5-6-12-21-19;20-18(15-6-2-1-3-7-15)16-11-9-14(10-12-16)17-8-4-5-13-19-17;20-17(13-6-2-1-3-7-13)14-9-10-16(19-12-14)15-8-4-5-11-18-15;1-12-9-13(2)11-15(10-12)17-8-7-14-5-3-4-6-16(14)18-17;1-2-8-13-12(6-1)7-5-9-14(13)15-10-3-4-11-16-15;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;9*1-4(6)3-5(2)7;;;;;;;;;;/h2*3-10,12-15H,1-2H3;3-13,15H,1-2H3;4-9,11-15H,1-3H3;1-11,13-15H;3-9,11-13H,1-2H3;1-9,11-13H;1-12H;3-10H,1-2H3;1-8,10-11H;1-7,9-11H;9*3,6H,1-2H3;;;;;;;;;;/q7*-1;;3*-1
• InChIKey: URHVFIUGGHLXTA-UHFFFAOYSA-N
• XLogP: 61.49
• TPSA: 541.59 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 33
• Rotatable Bonds: 28
• Heavy Atoms: 304
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5796.98
LogP ≤ 5	61.49
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of [6-(4-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-phenylmethanone;2-(3,4-dimethylbenzene-2-id-1-yl)-4-phenylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyridine;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;nonakis(4-hydroxypent-3-en-2-one);decakis(iridium);2-(2H-naphthalen-2-id-1-yl)pyridine;1-phenylisoquinoline;4-phenyl-2-phenylquinoline;phenyl-(4-pyridin-2-ylbenzene-5-id-1-yl)methanone;phenyl-(6-pyridin-2-yl-3-pyridinyl)methanone?

The IUPAC name of [6-(4-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-phenylmethanone;2-(3,4-dimethylbenzene-2-id-1-yl)-4-phenylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyridine;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;nonakis(4-hydroxypent-3-en-2-one);decakis(iridium);2-(2H-naphthalen-2-id-1-yl)pyridine;1-phenylisoquinoline;4-phenyl-2-phenylquinoline;phenyl-(4-pyridin-2-ylbenzene-5-id-1-yl)methanone;phenyl-(6-pyridin-2-yl-3-pyridinyl)methanone (CID 157244808) is [6-(4-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-phenylmethanone;2-(3,4-dimethylbenzene-2-id-1-yl)-4-phenylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyridine;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;nonakis(4-hydroxypent-3-en-2-one);decakis(iridium);2-(2H-naphthalen-2-id-1-yl)pyridine;1-phenylisoquinoline;4-phenyl-2-phenylquinoline;phenyl-(4-pyridin-2-ylbenzene-5-id-1-yl)methanone;phenyl-(6-pyridin-2-yl-3-pyridinyl)methanone.

What is the SMILES notation for [6-(4-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-phenylmethanone;2-(3,4-dimethylbenzene-2-id-1-yl)-4-phenylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyridine;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;nonakis(4-hydroxypent-3-en-2-one);decakis(iridium);2-(2H-naphthalen-2-id-1-yl)pyridine;1-phenylisoquinoline;4-phenyl-2-phenylquinoline;phenyl-(4-pyridin-2-ylbenzene-5-id-1-yl)methanone;phenyl-(6-pyridin-2-yl-3-pyridinyl)methanone?

The canonical SMILES for [6-(4-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-phenylmethanone;2-(3,4-dimethylbenzene-2-id-1-yl)-4-phenylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyridine;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;nonakis(4-hydroxypent-3-en-2-one);decakis(iridium);2-(2H-naphthalen-2-id-1-yl)pyridine;1-phenylisoquinoline;4-phenyl-2-phenylquinoline;phenyl-(4-pyridin-2-ylbenzene-5-id-1-yl)methanone;phenyl-(6-pyridin-2-yl-3-pyridinyl)methanone is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(C)(C)c1c[c-]c(-c2ccc(C(=O)c3ccccc3)cn2)cc1.CC1(C)c2ccccc2-c2c[c-]c(-c3cc4ccccc4cn3)cc21.CC1(C)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.CC1(C)c2ccccc2-c2c[c-]c(-c3ccccn3)cc21.Cc1[c-]c(-c2cc(-c3ccccc3)c3ccccc3n2)ccc1C.Cc1[c-]c(-c2ccc3ccccc3n2)cc(C)c1.O=C(c1c[c-]c(-c2ccccn2)cc1)c1ccccc1.O=C(c1ccccc1)c1ccc(-c2ccccn2)nc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2ccccc2c1-c1ccccn1.[c-]1ccccc1-c1cc(-c2ccccc2)c2ccccc2n1.[c-]1ccccc1-c1nccc2ccccc12.

What is the InChIKey of [6-(4-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-phenylmethanone;2-(3,4-dimethylbenzene-2-id-1-yl)-4-phenylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyridine;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;nonakis(4-hydroxypent-3-en-2-one);decakis(iridium);2-(2H-naphthalen-2-id-1-yl)pyridine;1-phenylisoquinoline;4-phenyl-2-phenylquinoline;phenyl-(4-pyridin-2-ylbenzene-5-id-1-yl)methanone;phenyl-(6-pyridin-2-yl-3-pyridinyl)methanone?

The InChIKey is URHVFIUGGHLXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H18N.C23H18N.C22H20NO.C21H14N.C20H16N.C18H12NO.C17H12N2O.C17H14N.2C15H10N.9C5H8O2.10Ir/c1-24(2)20-9-5-4-8-18(20)19-13-11-17(15-21(19)24)23-14-12-16-7-3-6-10-22(16)25-23;1-24(2)21-10-6-5-9-19(21)20-12-11-17(13-22(20)24)23-14-16-7-3-4-8-18(16)15-25-23;1-16-12-13-19(14-17(16)2)23-15-21(18-8-4-3-5-9-18)20-10-6-7-11-22(20)24-23;1-22(2,3)19-12-9-16(10-13-19)20-14-11-18(15-23-20)21(24)17-7-5-4-6-8-17;1-3-9-16(10-4-1)19-15-21(17-11-5-2-6-12-17)22-20-14-8-7-13-18(19)20;1-20(2)17-8-4-3-7-15(17)16-11-10-14(13-18(16)20)19-9-5-6-12-21-19;20-18(15-6-2-1-3-7-15)16-11-9-14(10-12-16)17-8-4-5-13-19-17;20-17(13-6-2-1-3-7-13)14-9-10-16(19-12-14)15-8-4-5-11-18-15;1-12-9-13(2)11-15(10-12)17-8-7-14-5-3-4-6-16(14)18-17;1-2-8-13-12(6-1)7-5-9-14(13)15-10-3-4-11-16-15;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;9*1-4(6)3-5(2)7;;;;;;;;;;/h2*3-10,12-15H,1-2H3;3-13,15H,1-2H3;4-9,11-15H,1-3H3;1-11,13-15H;3-9,11-13H,1-2H3;1-9,11-13H;1-12H;3-10H,1-2H3;1-8,10-11H;1-7,9-11H;9*3,6H,1-2H3;;;;;;;;;;/q7*-1;;3*-1;;;;;;;;;;;;;;;;;;;.

What are the key properties of [6-(4-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-phenylmethanone;2-(3,4-dimethylbenzene-2-id-1-yl)-4-phenylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyridine;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;nonakis(4-hydroxypent-3-en-2-one);decakis(iridium);2-(2H-naphthalen-2-id-1-yl)pyridine;1-phenylisoquinoline;4-phenyl-2-phenylquinoline;phenyl-(4-pyridin-2-ylbenzene-5-id-1-yl)methanone;phenyl-(6-pyridin-2-yl-3-pyridinyl)methanone?

[6-(4-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-phenylmethanone;2-(3,4-dimethylbenzene-2-id-1-yl)-4-phenylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyridine;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;nonakis(4-hydroxypent-3-en-2-one);decakis(iridium);2-(2H-naphthalen-2-id-1-yl)pyridine;1-phenylisoquinoline;4-phenyl-2-phenylquinoline;phenyl-(4-pyridin-2-ylbenzene-5-id-1-yl)methanone;phenyl-(6-pyridin-2-yl-3-pyridinyl)methanone has a molecular weight of 5796.98 g/mol, XLogP of 61.49, 28 rotatable bonds, 9 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(4-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-phenylmethanone;2-(3,4-dimethylbenzene-2-id-1-yl)-4-phenylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyridine;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;nonakis(4-hydroxypent-3-en-2-one);decakis(iridium);2-(2H-naphthalen-2-id-1-yl)pyridine;1-phenylisoquinoline;4-phenyl-2-phenylquinoline;phenyl-(4-pyridin-2-ylbenzene-5-id-1-yl)methanone;phenyl-(6-pyridin-2-yl-3-pyridinyl)methanone is sourced from PubChem (CID 157244808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).