4-[(1S)-6-methyl-5-[5-(3-methylcyclohexa-1,5-dien-1-yl)-2-pyridinyl]-3-pyridin-2-ylcyclohexa-2,4-dien-1-yl]-2,6-diphenylpyridine

C41H35N3 — CID 155198319

About 4-[(1S)-6-methyl-5-[5-(3-methylcyclohexa-1,5-dien-1-yl)-2-pyridinyl]-3-pyridin-2-ylcyclohexa-2,4-dien-1-yl]-2,6-diphenylpyridine

4-[(1S)-6-methyl-5-[5-(3-methylcyclohexa-1,5-dien-1-yl)-2-pyridinyl]-3-pyridin-2-ylcyclohexa-2,4-dien-1-yl]-2,6-diphenylpyridine (PubChem CID 155198319) has the molecular formula C41H35N3 and a molecular weight of 569.75 g/mol. Its IUPAC name is 4-[(1S)-6-methyl-5-[5-(3-methylcyclohexa-1,5-dien-1-yl)-2-pyridinyl]-3-pyridin-2-ylcyclohexa-2,4-dien-1-yl]-2,6-diphenylpyridine.

Molecular Properties

• Compound Name: 4-[(1S)-6-methyl-5-[5-(3-methylcyclohexa-1,5-dien-1-yl)-2-pyridinyl]-3-pyridin-2-ylcyclohexa-2,4-dien-1-yl]-2,6-diphenylpyridine
• PubChem CID: 155198319
• Molecular Formula: C41H35N3
• Molecular Weight: 569.75 g/mol
• Exact Mass: 569.28
• IUPAC Name: 4-[(1S)-6-methyl-5-[5-(3-methylcyclohexa-1,5-dien-1-yl)-2-pyridinyl]-3-pyridin-2-ylcyclohexa-2,4-dien-1-yl]-2,6-diphenylpyridine
• SMILES: CC1C=C(c2ccc(C3=CC(c4ccccn4)=C[C@H](c4cc(-c5ccccc5)nc(-c5ccccc5)c4)C3C)nc2)C=CC1
• InChI: InChI=1S/C41H35N3/c1-28-12-11-17-32(22-28)33-19-20-39(43-27-33)37-24-35(38-18-9-10-21-42-38)23-36(29(37)2)34-25-40(30-13-5-3-6-14-30)44-41(26-34)31-15-7-4-8-16-31/h3-11,13-29,36H,12H2,1-2H3/t28?,29?,36-/m0/s1
• InChIKey: RIRUCMLMONWCGT-DHMSSXBRSA-N
• XLogP: 10.09
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.75
LogP ≤ 5	10.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-6-methyl-5-[5-(3-methylcyclohexa-1,5-dien-1-yl)-2-pyridinyl]-3-pyridin-2-ylcyclohexa-2,4-dien-1-yl]-2,6-diphenylpyridine?

The IUPAC name of 4-[(1S)-6-methyl-5-[5-(3-methylcyclohexa-1,5-dien-1-yl)-2-pyridinyl]-3-pyridin-2-ylcyclohexa-2,4-dien-1-yl]-2,6-diphenylpyridine (CID 155198319) is 4-[(1S)-6-methyl-5-[5-(3-methylcyclohexa-1,5-dien-1-yl)-2-pyridinyl]-3-pyridin-2-ylcyclohexa-2,4-dien-1-yl]-2,6-diphenylpyridine.

What is the SMILES notation for 4-[(1S)-6-methyl-5-[5-(3-methylcyclohexa-1,5-dien-1-yl)-2-pyridinyl]-3-pyridin-2-ylcyclohexa-2,4-dien-1-yl]-2,6-diphenylpyridine?

The canonical SMILES for 4-[(1S)-6-methyl-5-[5-(3-methylcyclohexa-1,5-dien-1-yl)-2-pyridinyl]-3-pyridin-2-ylcyclohexa-2,4-dien-1-yl]-2,6-diphenylpyridine is CC1C=C(c2ccc(C3=CC(c4ccccn4)=C[C@H](c4cc(-c5ccccc5)nc(-c5ccccc5)c4)C3C)nc2)C=CC1.

What is the InChIKey of 4-[(1S)-6-methyl-5-[5-(3-methylcyclohexa-1,5-dien-1-yl)-2-pyridinyl]-3-pyridin-2-ylcyclohexa-2,4-dien-1-yl]-2,6-diphenylpyridine?

The InChIKey is RIRUCMLMONWCGT-DHMSSXBRSA-N. The full InChI is InChI=1S/C41H35N3/c1-28-12-11-17-32(22-28)33-19-20-39(43-27-33)37-24-35(38-18-9-10-21-42-38)23-36(29(37)2)34-25-40(30-13-5-3-6-14-30)44-41(26-34)31-15-7-4-8-16-31/h3-11,13-29,36H,12H2,1-2H3/t28?,29?,36-/m0/s1.

What are the key properties of 4-[(1S)-6-methyl-5-[5-(3-methylcyclohexa-1,5-dien-1-yl)-2-pyridinyl]-3-pyridin-2-ylcyclohexa-2,4-dien-1-yl]-2,6-diphenylpyridine?

4-[(1S)-6-methyl-5-[5-(3-methylcyclohexa-1,5-dien-1-yl)-2-pyridinyl]-3-pyridin-2-ylcyclohexa-2,4-dien-1-yl]-2,6-diphenylpyridine has a molecular weight of 569.75 g/mol, XLogP of 10.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(1S)-6-methyl-5-[5-(3-methylcyclohexa-1,5-dien-1-yl)-2-pyridinyl]-3-pyridin-2-ylcyclohexa-2,4-dien-1-yl]-2,6-diphenylpyridine is sourced from PubChem (CID 155198319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).