2-cyclopenta-1,3-dien-1-ylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;hexakis(1-(2,4-difluorobenzene-6-id-1-yl)pyrazole);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine-4-carbaldehyde;hexakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenylpyridine

C123H79F18Ir6N19O-12 — CID 161489073

About 2-cyclopenta-1,3-dien-1-ylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;hexakis(1-(2,4-difluorobenzene-6-id-1-yl)pyrazole);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine-4-carbaldehyde;hexakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenylpyridine

2-cyclopenta-1,3-dien-1-ylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;hexakis(1-(2,4-difluorobenzene-6-id-1-yl)pyrazole);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine-4-carbaldehyde;hexakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenylpyridine (PubChem CID 161489073) has the molecular formula C123H79F18Ir6N19O-12 and a molecular weight of 3334.38 g/mol. Its IUPAC name is 2-cyclopenta-1,3-dien-1-ylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;hexakis(1-(2,4-difluorobenzene-6-id-1-yl)pyrazole);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine-4-carbaldehyde;hexakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenylpyridine.

Molecular Properties

• Compound Name: 2-cyclopenta-1,3-dien-1-ylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;hexakis(1-(2,4-difluorobenzene-6-id-1-yl)pyrazole);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine-4-carbaldehyde;hexakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenylpyridine
• PubChem CID: 161489073
• Molecular Formula: C123H79F18Ir6N19O-12
• Molecular Weight: 3334.38 g/mol
• Exact Mass: 3337.43
• IUPAC Name: 2-cyclopenta-1,3-dien-1-ylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;hexakis(1-(2,4-difluorobenzene-6-id-1-yl)pyrazole);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine-4-carbaldehyde;hexakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenylpyridine
• SMILES: CN(C)c1ccnc(-c2[c-]cc(F)cc2F)c1.Cc1c[c-]c(-c2ccccn2)cc1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-n2cccn2)c(F)c1.Fc1c[c-]c(-n2cccn2)c(F)c1.Fc1c[c-]c(-n2cccn2)c(F)c1.Fc1c[c-]c(-n2cccn2)c(F)c1.Fc1c[c-]c(-n2cccn2)c(F)c1.Fc1c[c-]c(-n2cccn2)c(F)c1.O=Cc1ccnc(-c2[c-]cc(F)cc2F)c1.[C-]1=C(c2ccccn2)CC=C1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C13H11F2N2.C12H6F2NO.C12H10N.C11H6F2N.C11H8N.C10H8N.6C9H5F2N2.6Ir/c1-17(2)10-5-6-16-13(8-10)11-4-3-9(14)7-12(11)15;13-9-1-2-10(11(14)6-9)12-5-8(7-16)3-4-15-12;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-6-9(5-1)10-7-3-4-8-11-10;6*10-7-2-3-9(8(11)6-7)13-5-1-4-12-13;;;;;;/h3,5-8H,1-2H3;1,3-7H;2-7,9H,1H3;1-4,6-7H;1-6,8-9H;1-4,7-8H,5H2;6*1-2,4-6H;;;;;;/q12*-1
• InChIKey: OODSFINDUKZZNU-UHFFFAOYSA-N
• XLogP: 27.68
• TPSA: 204.57 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 14
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3334.38
LogP ≤ 5	27.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-cyclopenta-1,3-dien-1-ylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;hexakis(1-(2,4-difluorobenzene-6-id-1-yl)pyrazole);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine-4-carbaldehyde;hexakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenylpyridine?

The IUPAC name of 2-cyclopenta-1,3-dien-1-ylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;hexakis(1-(2,4-difluorobenzene-6-id-1-yl)pyrazole);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine-4-carbaldehyde;hexakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenylpyridine (CID 161489073) is 2-cyclopenta-1,3-dien-1-ylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;hexakis(1-(2,4-difluorobenzene-6-id-1-yl)pyrazole);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine-4-carbaldehyde;hexakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenylpyridine.

What is the SMILES notation for 2-cyclopenta-1,3-dien-1-ylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;hexakis(1-(2,4-difluorobenzene-6-id-1-yl)pyrazole);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine-4-carbaldehyde;hexakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenylpyridine?

The canonical SMILES for 2-cyclopenta-1,3-dien-1-ylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;hexakis(1-(2,4-difluorobenzene-6-id-1-yl)pyrazole);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine-4-carbaldehyde;hexakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenylpyridine is CN(C)c1ccnc(-c2[c-]cc(F)cc2F)c1.Cc1c[c-]c(-c2ccccn2)cc1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-n2cccn2)c(F)c1.Fc1c[c-]c(-n2cccn2)c(F)c1.Fc1c[c-]c(-n2cccn2)c(F)c1.Fc1c[c-]c(-n2cccn2)c(F)c1.Fc1c[c-]c(-n2cccn2)c(F)c1.Fc1c[c-]c(-n2cccn2)c(F)c1.O=Cc1ccnc(-c2[c-]cc(F)cc2F)c1.[C-]1=C(c2ccccn2)CC=C1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.

What is the InChIKey of 2-cyclopenta-1,3-dien-1-ylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;hexakis(1-(2,4-difluorobenzene-6-id-1-yl)pyrazole);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine-4-carbaldehyde;hexakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenylpyridine?

The InChIKey is OODSFINDUKZZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N2.C12H6F2NO.C12H10N.C11H6F2N.C11H8N.C10H8N.6C9H5F2N2.6Ir/c1-17(2)10-5-6-16-13(8-10)11-4-3-9(14)7-12(11)15;13-9-1-2-10(11(14)6-9)12-5-8(7-16)3-4-15-12;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-6-9(5-1)10-7-3-4-8-11-10;6*10-7-2-3-9(8(11)6-7)13-5-1-4-12-13;;;;;;/h3,5-8H,1-2H3;1,3-7H;2-7,9H,1H3;1-4,6-7H;1-6,8-9H;1-4,7-8H,5H2;6*1-2,4-6H;;;;;;/q12*-1;;;;;;.

What are the key properties of 2-cyclopenta-1,3-dien-1-ylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;hexakis(1-(2,4-difluorobenzene-6-id-1-yl)pyrazole);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine-4-carbaldehyde;hexakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenylpyridine?

2-cyclopenta-1,3-dien-1-ylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;hexakis(1-(2,4-difluorobenzene-6-id-1-yl)pyrazole);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine-4-carbaldehyde;hexakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenylpyridine has a molecular weight of 3334.38 g/mol, XLogP of 27.68, 14 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopenta-1,3-dien-1-ylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;hexakis(1-(2,4-difluorobenzene-6-id-1-yl)pyrazole);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine-4-carbaldehyde;hexakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenylpyridine is sourced from PubChem (CID 161489073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).