2,6-dipyridin-2-yl-4-[4-[2,4,5-tris[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-3,6-dihexoxyphenyl]phenyl]pyridine

C102H82N12O2 — CID 102454997

About 2,6-dipyridin-2-yl-4-[4-[2,4,5-tris[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-3,6-dihexoxyphenyl]phenyl]pyridine

2,6-dipyridin-2-yl-4-[4-[2,4,5-tris[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-3,6-dihexoxyphenyl]phenyl]pyridine (PubChem CID 102454997) has the molecular formula C102H82N12O2 and a molecular weight of 1507.86 g/mol. Its IUPAC name is 2,6-dipyridin-2-yl-4-[4-[2,4,5-tris[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-3,6-dihexoxyphenyl]phenyl]pyridine.

Molecular Properties

• Compound Name: 2,6-dipyridin-2-yl-4-[4-[2,4,5-tris[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-3,6-dihexoxyphenyl]phenyl]pyridine
• PubChem CID: 102454997
• Molecular Formula: C102H82N12O2
• Molecular Weight: 1507.86 g/mol
• Exact Mass: 1506.67
• IUPAC Name: 2,6-dipyridin-2-yl-4-[4-[2,4,5-tris[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-3,6-dihexoxyphenyl]phenyl]pyridine
• SMILES: CCCCCCOc1c(-c2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc2)c(-c2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc2)c(OCCCCCC)c(-c2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc2)c1-c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1
• InChI: InChI=1S/C102H82N12O2/c1-3-5-7-25-59-115-101-97(73-43-35-69(36-44-73)77-61-89(81-27-9-17-51-103-81)111-90(62-77)82-28-10-18-52-104-82)99(75-47-39-71(40-48-75)79-65-93(85-31-13-21-55-107-85)113-94(66-79)86-32-14-22-56-108-86)102(116-60-26-8-6-4-2)100(76-49-41-72(42-50-76)80-67-95(87-33-15-23-57-109-87)114-96(68-80)88-34-16-24-58-110-88)98(101)74-45-37-70(38-46-74)78-63-91(83-29-11-19-53-105-83)112-92(64-78)84-30-12-20-54-106-84/h9-24,27-58,61-68H,3-8,25-26,59-60H2,1-2H3
• InChIKey: MMSRHTTVRFLQBS-UHFFFAOYSA-N
• XLogP: 25.02
• TPSA: 173.14 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 28
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1507.86
LogP ≤ 5	25.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,6-dipyridin-2-yl-4-[4-[2,4,5-tris[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-3,6-dihexoxyphenyl]phenyl]pyridine?

The IUPAC name of 2,6-dipyridin-2-yl-4-[4-[2,4,5-tris[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-3,6-dihexoxyphenyl]phenyl]pyridine (CID 102454997) is 2,6-dipyridin-2-yl-4-[4-[2,4,5-tris[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-3,6-dihexoxyphenyl]phenyl]pyridine.

What is the SMILES notation for 2,6-dipyridin-2-yl-4-[4-[2,4,5-tris[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-3,6-dihexoxyphenyl]phenyl]pyridine?

The canonical SMILES for 2,6-dipyridin-2-yl-4-[4-[2,4,5-tris[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-3,6-dihexoxyphenyl]phenyl]pyridine is CCCCCCOc1c(-c2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc2)c(-c2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc2)c(OCCCCCC)c(-c2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc2)c1-c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.

What is the InChIKey of 2,6-dipyridin-2-yl-4-[4-[2,4,5-tris[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-3,6-dihexoxyphenyl]phenyl]pyridine?

The InChIKey is MMSRHTTVRFLQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H82N12O2/c1-3-5-7-25-59-115-101-97(73-43-35-69(36-44-73)77-61-89(81-27-9-17-51-103-81)111-90(62-77)82-28-10-18-52-104-82)99(75-47-39-71(40-48-75)79-65-93(85-31-13-21-55-107-85)113-94(66-79)86-32-14-22-56-108-86)102(116-60-26-8-6-4-2)100(76-49-41-72(42-50-76)80-67-95(87-33-15-23-57-109-87)114-96(68-80)88-34-16-24-58-110-88)98(101)74-45-37-70(38-46-74)78-63-91(83-29-11-19-53-105-83)112-92(64-78)84-30-12-20-54-106-84/h9-24,27-58,61-68H,3-8,25-26,59-60H2,1-2H3.

What are the key properties of 2,6-dipyridin-2-yl-4-[4-[2,4,5-tris[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-3,6-dihexoxyphenyl]phenyl]pyridine?

2,6-dipyridin-2-yl-4-[4-[2,4,5-tris[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-3,6-dihexoxyphenyl]phenyl]pyridine has a molecular weight of 1507.86 g/mol, XLogP of 25.02, 28 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dipyridin-2-yl-4-[4-[2,4,5-tris[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-3,6-dihexoxyphenyl]phenyl]pyridine is sourced from PubChem (CID 102454997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).