2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;2-(3H-dibenzofuran-3-id-2-yl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-4-yl)pyridine;1-(2-ethylbutyl)-4-phenylbenzene;hexakis(iridium);bis(2-methyl-6-phenylpyridine);tetrakis(2-phenylpyridine);pyridine

C177H130Ir6N12O4S-12 — CID 157148605

About 2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;2-(3H-dibenzofuran-3-id-2-yl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-4-yl)pyridine;1-(2-ethylbutyl)-4-phenylbenzene;hexakis(iridium);bis(2-methyl-6-phenylpyridine);tetrakis(2-phenylpyridine);pyridine

2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;2-(3H-dibenzofuran-3-id-2-yl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-4-yl)pyridine;1-(2-ethylbutyl)-4-phenylbenzene;hexakis(iridium);bis(2-methyl-6-phenylpyridine);tetrakis(2-phenylpyridine);pyridine (PubChem CID 157148605) has the molecular formula C177H130Ir6N12O4S-12 and a molecular weight of 3674.44 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;2-(3H-dibenzofuran-3-id-2-yl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-4-yl)pyridine;1-(2-ethylbutyl)-4-phenylbenzene;hexakis(iridium);bis(2-methyl-6-phenylpyridine);tetrakis(2-phenylpyridine);pyridine.

Molecular Properties

• Compound Name: 2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;2-(3H-dibenzofuran-3-id-2-yl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-4-yl)pyridine;1-(2-ethylbutyl)-4-phenylbenzene;hexakis(iridium);bis(2-methyl-6-phenylpyridine);tetrakis(2-phenylpyridine);pyridine
• PubChem CID: 157148605
• Molecular Formula: C177H130Ir6N12O4S-12
• Molecular Weight: 3674.44 g/mol
• Exact Mass: 3676.79
• IUPAC Name: 2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;2-(3H-dibenzofuran-3-id-2-yl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-4-yl)pyridine;1-(2-ethylbutyl)-4-phenylbenzene;hexakis(iridium);bis(2-methyl-6-phenylpyridine);tetrakis(2-phenylpyridine);pyridine
• SMILES: CCC(CC)Cc1ccc(-c2cc[c-]cc2)cc1.Cc1cccc(-c2[c-]cccc2)n1.Cc1cccc(-c2[c-]cccc2)n1.Cc1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc2oc3ccccc3c2cc1-c1ccccn1.[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1.[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1.[c-]1ccc2c(sc3ccccc32)c1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccncc1
• InChI: InChI=1S/C18H12NO.C18H21.3C17H10NO.C17H10NS.2C12H10N.4C11H8N.C5H5N.6Ir/c1-12-9-10-19-16(11-12)15-7-4-6-14-13-5-2-3-8-17(13)20-18(14)15;1-3-15(4-2)14-16-10-12-18(13-11-16)17-8-6-5-7-9-17;2*1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;1-2-7-16-13(5-1)14-11-12(8-9-17(14)19-16)15-6-3-4-10-18-15;1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;2*1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-4-6-5-3-1;;;;;;/h2-6,8-11H,1H3;6-13,15H,3-4,14H2,1-2H3;4*1-7,9-11H;2*2-7,9H,1H3;4*1-6,8-9H;1-5H;;;;;;/q12*-1
• InChIKey: XSIKMDWCCREDJO-UHFFFAOYSA-N
• XLogP: 45.13
• TPSA: 207.24 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 16
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3674.44
LogP ≤ 5	45.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;2-(3H-dibenzofuran-3-id-2-yl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-4-yl)pyridine;1-(2-ethylbutyl)-4-phenylbenzene;hexakis(iridium);bis(2-methyl-6-phenylpyridine);tetrakis(2-phenylpyridine);pyridine?

The IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;2-(3H-dibenzofuran-3-id-2-yl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-4-yl)pyridine;1-(2-ethylbutyl)-4-phenylbenzene;hexakis(iridium);bis(2-methyl-6-phenylpyridine);tetrakis(2-phenylpyridine);pyridine (CID 157148605) is 2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;2-(3H-dibenzofuran-3-id-2-yl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-4-yl)pyridine;1-(2-ethylbutyl)-4-phenylbenzene;hexakis(iridium);bis(2-methyl-6-phenylpyridine);tetrakis(2-phenylpyridine);pyridine.

What is the SMILES notation for 2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;2-(3H-dibenzofuran-3-id-2-yl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-4-yl)pyridine;1-(2-ethylbutyl)-4-phenylbenzene;hexakis(iridium);bis(2-methyl-6-phenylpyridine);tetrakis(2-phenylpyridine);pyridine?

The canonical SMILES for 2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;2-(3H-dibenzofuran-3-id-2-yl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-4-yl)pyridine;1-(2-ethylbutyl)-4-phenylbenzene;hexakis(iridium);bis(2-methyl-6-phenylpyridine);tetrakis(2-phenylpyridine);pyridine is CCC(CC)Cc1ccc(-c2cc[c-]cc2)cc1.Cc1cccc(-c2[c-]cccc2)n1.Cc1cccc(-c2[c-]cccc2)n1.Cc1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc2oc3ccccc3c2cc1-c1ccccn1.[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1.[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1.[c-]1ccc2c(sc3ccccc32)c1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccncc1.

What is the InChIKey of 2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;2-(3H-dibenzofuran-3-id-2-yl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-4-yl)pyridine;1-(2-ethylbutyl)-4-phenylbenzene;hexakis(iridium);bis(2-methyl-6-phenylpyridine);tetrakis(2-phenylpyridine);pyridine?

The InChIKey is XSIKMDWCCREDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12NO.C18H21.3C17H10NO.C17H10NS.2C12H10N.4C11H8N.C5H5N.6Ir/c1-12-9-10-19-16(11-12)15-7-4-6-14-13-5-2-3-8-17(13)20-18(14)15;1-3-15(4-2)14-16-10-12-18(13-11-16)17-8-6-5-7-9-17;2*1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;1-2-7-16-13(5-1)14-11-12(8-9-17(14)19-16)15-6-3-4-10-18-15;1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;2*1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-4-6-5-3-1;;;;;;/h2-6,8-11H,1H3;6-13,15H,3-4,14H2,1-2H3;4*1-7,9-11H;2*2-7,9H,1H3;4*1-6,8-9H;1-5H;;;;;;/q12*-1;;;;;;;.

What are the key properties of 2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;2-(3H-dibenzofuran-3-id-2-yl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-4-yl)pyridine;1-(2-ethylbutyl)-4-phenylbenzene;hexakis(iridium);bis(2-methyl-6-phenylpyridine);tetrakis(2-phenylpyridine);pyridine?

2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;2-(3H-dibenzofuran-3-id-2-yl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-4-yl)pyridine;1-(2-ethylbutyl)-4-phenylbenzene;hexakis(iridium);bis(2-methyl-6-phenylpyridine);tetrakis(2-phenylpyridine);pyridine has a molecular weight of 3674.44 g/mol, XLogP of 45.13, 16 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;2-(3H-dibenzofuran-3-id-2-yl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-4-yl)pyridine;1-(2-ethylbutyl)-4-phenylbenzene;hexakis(iridium);bis(2-methyl-6-phenylpyridine);tetrakis(2-phenylpyridine);pyridine is sourced from PubChem (CID 157148605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).