Bis((1R,2R)-1,2-diphenyl-1-pyridin-4-ylbutan-1-ol);methanol

C₄₄H₅₀N₂O₄ — CID 139051351

About Bis((1R,2R)-1,2-diphenyl-1-pyridin-4-ylbutan-1-ol);methanol

Bis((1R,2R)-1,2-diphenyl-1-pyridin-4-ylbutan-1-ol);methanol (PubChem CID 139051351) has the molecular formula C₄₄H₅₀N₂O₄ and a molecular weight of 670.89 g/mol. Its IUPAC name is bis((1R,2R)-1,2-diphenyl-1-pyridin-4-ylbutan-1-ol);methanol.

Molecular Properties

• Compound Name: Bis((1R,2R)-1,2-diphenyl-1-pyridin-4-ylbutan-1-ol);methanol
• PubChem CID: 139051351
• Molecular Formula: C₄₄H₅₀N₂O₄
• Molecular Weight: 670.89 g/mol
• Exact Mass: 670.38
• IUPAC Name: bis((1R,2R)-1,2-diphenyl-1-pyridin-4-ylbutan-1-ol);methanol
• SMILES: CC[C@H](c1ccccc1)[C@@](O)(c1ccccc1)c1ccncc1.CC[C@H](c1ccccc1)[C@@](O)(c1ccccc1)c1ccncc1.CO.CO
• InChI: InChI=1S/2C21H21NO.2CH4O/c2*1-2-20(17-9-5-3-6-10-17)21(23,18-11-7-4-8-12-18)19-13-15-22-16-14-19;2*1-2/h2*3-16,20,23H,2H2,1H3;2*2H,1H3/t2*20-,21-;;/m11../s1
• InChIKey: IUJQSULKZGHEGX-GVVBCNCXSA-N
• XLogP: 8.24
• TPSA: 106.70 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	670.89
LogP ≤ 5	8.24
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of Bis((1R,2R)-1,2-diphenyl-1-pyridin-4-ylbutan-1-ol);methanol?

The IUPAC name of Bis((1R,2R)-1,2-diphenyl-1-pyridin-4-ylbutan-1-ol);methanol (CID 139051351) is bis((1R,2R)-1,2-diphenyl-1-pyridin-4-ylbutan-1-ol);methanol.

What is the SMILES notation for Bis((1R,2R)-1,2-diphenyl-1-pyridin-4-ylbutan-1-ol);methanol?

The canonical SMILES for Bis((1R,2R)-1,2-diphenyl-1-pyridin-4-ylbutan-1-ol);methanol is CC[C@H](c1ccccc1)[C@@](O)(c1ccccc1)c1ccncc1.CC[C@H](c1ccccc1)[C@@](O)(c1ccccc1)c1ccncc1.CO.CO.

What is the InChIKey of Bis((1R,2R)-1,2-diphenyl-1-pyridin-4-ylbutan-1-ol);methanol?

The InChIKey is IUJQSULKZGHEGX-GVVBCNCXSA-N. The full InChI is InChI=1S/2C21H21NO.2CH4O/c2*1-2-20(17-9-5-3-6-10-17)21(23,18-11-7-4-8-12-18)19-13-15-22-16-14-19;2*1-2/h2*3-16,20,23H,2H2,1H3;2*2H,1H3/t2*20-,21-;;/m11../s1.

What are the key properties of Bis((1R,2R)-1,2-diphenyl-1-pyridin-4-ylbutan-1-ol);methanol?

Bis((1R,2R)-1,2-diphenyl-1-pyridin-4-ylbutan-1-ol);methanol has a molecular weight of 670.89 g/mol, XLogP of 8.24, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Bis((1R,2R)-1,2-diphenyl-1-pyridin-4-ylbutan-1-ol);methanol is sourced from PubChem (CID 139051351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139051351 — identifiers, structure, computed properties (public domain)

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