5-[4-[3-dodecoxy-4-[2-dodecoxy-3-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-2-pyridin-2-ylpyridine

C228H246N12O6 — CID 139175607

About 5-[4-[3-dodecoxy-4-[2-dodecoxy-3-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-2-pyridin-2-ylpyridine

5-[4-[3-dodecoxy-4-[2-dodecoxy-3-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-2-pyridin-2-ylpyridine (PubChem CID 139175607) has the molecular formula C228H246N12O6 and a molecular weight of 3250.55 g/mol. Its IUPAC name is 5-[4-[3-dodecoxy-4-[2-dodecoxy-3-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-2-pyridin-2-ylpyridine.

Molecular Properties

• Compound Name: 5-[4-[3-dodecoxy-4-[2-dodecoxy-3-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-2-pyridin-2-ylpyridine
• PubChem CID: 139175607
• Molecular Formula: C228H246N12O6
• Molecular Weight: 3250.55 g/mol
• Exact Mass: 3247.93
• IUPAC Name: 5-[4-[3-dodecoxy-4-[2-dodecoxy-3-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-2-pyridin-2-ylpyridine
• SMILES: CCCCCCCCCCCCOc1c(-c2ccc(-c3ccc(-c4ccccn4)nc3)cc2)cc2ccccc2c1-c1c(OCCCCCCCCCCCC)c(-c2ccc(-c3ccc(-c4ccccn4)nc3)cc2)cc2ccccc12.CCCCCCCCCCCCOc1c(-c2ccc(-c3ccc(-c4ccccn4)nc3)cc2)cc2ccccc2c1-c1c(OCCCCCCCCCCCC)c(-c2ccc(-c3ccc(-c4ccccn4)nc3)cc2)cc2ccccc12.CCCCCCCCCCCCOc1c(-c2ccc(-c3ccc(-c4ccccn4)nc3)cc2)cc2ccccc2c1-c1c(OCCCCCCCCCCCC)c(-c2ccc(-c3ccc(-c4ccccn4)nc3)cc2)cc2ccccc12
• InChI: InChI=1S/3C76H82N4O2/c3*1-3-5-7-9-11-13-15-17-19-29-51-81-75-67(59-41-37-57(38-42-59)63-45-47-71(79-55-63)69-35-25-27-49-77-69)53-61-31-21-23-33-65(61)73(75)74-66-34-24-22-32-62(66)54-68(76(74)82-52-30-20-18-16-14-12-10-8-6-4-2)60-43-39-58(40-44-60)64-46-48-72(80-56-64)70-36-26-28-50-78-70/h3*21-28,31-50,53-56H,3-20,29-30,51-52H2,1-2H3
• InChIKey: OASONJZTUAGDCZ-UHFFFAOYSA-N
• XLogP: 65.52
• TPSA: 210.06 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 93
• Heavy Atoms: 246
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3250.55
LogP ≤ 5	65.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-dodecoxy-4-[2-dodecoxy-3-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-2-pyridin-2-ylpyridine?

The IUPAC name of 5-[4-[3-dodecoxy-4-[2-dodecoxy-3-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-2-pyridin-2-ylpyridine (CID 139175607) is 5-[4-[3-dodecoxy-4-[2-dodecoxy-3-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-2-pyridin-2-ylpyridine.

What is the SMILES notation for 5-[4-[3-dodecoxy-4-[2-dodecoxy-3-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-2-pyridin-2-ylpyridine?

The canonical SMILES for 5-[4-[3-dodecoxy-4-[2-dodecoxy-3-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-2-pyridin-2-ylpyridine is CCCCCCCCCCCCOc1c(-c2ccc(-c3ccc(-c4ccccn4)nc3)cc2)cc2ccccc2c1-c1c(OCCCCCCCCCCCC)c(-c2ccc(-c3ccc(-c4ccccn4)nc3)cc2)cc2ccccc12.CCCCCCCCCCCCOc1c(-c2ccc(-c3ccc(-c4ccccn4)nc3)cc2)cc2ccccc2c1-c1c(OCCCCCCCCCCCC)c(-c2ccc(-c3ccc(-c4ccccn4)nc3)cc2)cc2ccccc12.CCCCCCCCCCCCOc1c(-c2ccc(-c3ccc(-c4ccccn4)nc3)cc2)cc2ccccc2c1-c1c(OCCCCCCCCCCCC)c(-c2ccc(-c3ccc(-c4ccccn4)nc3)cc2)cc2ccccc12.

What is the InChIKey of 5-[4-[3-dodecoxy-4-[2-dodecoxy-3-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-2-pyridin-2-ylpyridine?

The InChIKey is OASONJZTUAGDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C76H82N4O2/c3*1-3-5-7-9-11-13-15-17-19-29-51-81-75-67(59-41-37-57(38-42-59)63-45-47-71(79-55-63)69-35-25-27-49-77-69)53-61-31-21-23-33-65(61)73(75)74-66-34-24-22-32-62(66)54-68(76(74)82-52-30-20-18-16-14-12-10-8-6-4-2)60-43-39-58(40-44-60)64-46-48-72(80-56-64)70-36-26-28-50-78-70/h3*21-28,31-50,53-56H,3-20,29-30,51-52H2,1-2H3.

What are the key properties of 5-[4-[3-dodecoxy-4-[2-dodecoxy-3-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-2-pyridin-2-ylpyridine?

5-[4-[3-dodecoxy-4-[2-dodecoxy-3-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-2-pyridin-2-ylpyridine has a molecular weight of 3250.55 g/mol, XLogP of 65.52, 93 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[3-dodecoxy-4-[2-dodecoxy-3-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-2-pyridin-2-ylpyridine is sourced from PubChem (CID 139175607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).