3-[3,5-bis[5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-3-yl]phenyl]-5-[3-[5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazole

C₇₂H₅₄N₁₄ — CID 171767240

About 3-[3,5-bis[5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-3-yl]phenyl]-5-[3-[5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazole

3-[3,5-bis[5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-3-yl]phenyl]-5-[3-[5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazole (PubChem CID 171767240) has the molecular formula C₇₂H₅₄N₁₄ and a molecular weight of 1115.32 g/mol. Its IUPAC name is 3-[3,5-bis[5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-3-yl]phenyl]-5-[3-[5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazole.

Molecular Properties

• Compound Name: 3-[3,5-bis[5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-3-yl]phenyl]-5-[3-[5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazole
• PubChem CID: 171767240
• Molecular Formula: C₇₂H₅₄N₁₄
• Molecular Weight: 1115.32 g/mol
• Exact Mass: 1114.47
• IUPAC Name: 3-[3,5-bis[5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-3-yl]phenyl]-5-[3-[5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazole
• SMILES: Cc1cccc(-c2cc(-c3cccc(-c4cc(-c5cc(-c6cc(-c7cccc(-c8cc(-c9cccc(C)c9)[nH]n8)c7)[nH]n6)cc(-c6cc(-c7cccc(-c8cc(-c9cccc(-c%10cc(-c%11cccc(C)c%11)[nH]n%10)c9)[nH]n8)c7)[nH]n6)c5)n[nH]4)c3)n[nH]2)c1
• InChI: InChI=1S/C72H54N14/c1-42-11-4-14-45(25-42)59-35-62(76-73-59)48-17-7-20-51(28-48)65-38-66(80-79-65)52-21-10-24-55(31-52)69-41-72(86-83-69)58-33-56(70-39-67(81-84-70)53-22-8-18-49(29-53)63-36-60(74-77-63)46-15-5-12-43(2)26-46)32-57(34-58)71-40-68(82-85-71)54-23-9-19-50(30-54)64-37-61(75-78-64)47-16-6-13-44(3)27-47/h4-41H,1-3H3,(H,73,76)(H,74,77)(H,75,78)(H,79,80)(H,81,84)(H,82,85)(H,83,86)
• InChIKey: CFYOFNCGUNMXKV-UHFFFAOYSA-N
• XLogP: 17.01
• TPSA: 200.76 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1115.32
LogP ≤ 5	17.01
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-bis[5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-3-yl]phenyl]-5-[3-[5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazole?

The IUPAC name of 3-[3,5-bis[5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-3-yl]phenyl]-5-[3-[5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazole (CID 171767240) is 3-[3,5-bis[5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-3-yl]phenyl]-5-[3-[5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazole.

What is the SMILES notation for 3-[3,5-bis[5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-3-yl]phenyl]-5-[3-[5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazole?

The canonical SMILES for 3-[3,5-bis[5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-3-yl]phenyl]-5-[3-[5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazole is Cc1cccc(-c2cc(-c3cccc(-c4cc(-c5cc(-c6cc(-c7cccc(-c8cc(-c9cccc(C)c9)[nH]n8)c7)[nH]n6)cc(-c6cc(-c7cccc(-c8cc(-c9cccc(-c%10cc(-c%11cccc(C)c%11)[nH]n%10)c9)[nH]n8)c7)[nH]n6)c5)n[nH]4)c3)n[nH]2)c1.

What is the InChIKey of 3-[3,5-bis[5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-3-yl]phenyl]-5-[3-[5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazole?

The InChIKey is CFYOFNCGUNMXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H54N14/c1-42-11-4-14-45(25-42)59-35-62(76-73-59)48-17-7-20-51(28-48)65-38-66(80-79-65)52-21-10-24-55(31-52)69-41-72(86-83-69)58-33-56(70-39-67(81-84-70)53-22-8-18-49(29-53)63-36-60(74-77-63)46-15-5-12-43(2)26-46)32-57(34-58)71-40-68(82-85-71)54-23-9-19-50(30-54)64-37-61(75-78-64)47-16-6-13-44(3)27-47/h4-41H,1-3H3,(H,73,76)(H,74,77)(H,75,78)(H,79,80)(H,81,84)(H,82,85)(H,83,86).

What are the key properties of 3-[3,5-bis[5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-3-yl]phenyl]-5-[3-[5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazole?

3-[3,5-bis[5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-3-yl]phenyl]-5-[3-[5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazole has a molecular weight of 1115.32 g/mol, XLogP of 17.01, 14 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3,5-bis[5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-3-yl]phenyl]-5-[3-[5-[3-[5-(3-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazole is sourced from PubChem (CID 171767240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 171767240 — identifiers, structure, computed properties (public domain)

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