N-[1-[2,6-di(propan-2-yl)phenyl]-2,5-dihydroxypyrrol-3-yl]-N-[1-[[1-[2,6-di(propan-2-yl)phenyl]-2,5-dihydroxypyrrol-3-yl]-(2-methylprop-2-enoyl)amino]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-2-methylprop-2-enamide

C76H52N4O6 — CID 123254022

About N-[1-[2,6-di(propan-2-yl)phenyl]-2,5-dihydroxypyrrol-3-yl]-N-[1-[[1-[2,6-di(propan-2-yl)phenyl]-2,5-dihydroxypyrrol-3-yl]-(2-methylprop-2-enoyl)amino]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-2-methylprop-2-enamide

N-[1-[2,6-di(propan-2-yl)phenyl]-2,5-dihydroxypyrrol-3-yl]-N-[1-[[1-[2,6-di(propan-2-yl)phenyl]-2,5-dihydroxypyrrol-3-yl]-(2-methylprop-2-enoyl)amino]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-2-methylprop-2-enamide (PubChem CID 123254022) has the molecular formula C76H52N4O6 and a molecular weight of 1117.27 g/mol. Its IUPAC name is N-[1-[2,6-di(propan-2-yl)phenyl]-2,5-dihydroxypyrrol-3-yl]-N-[1-[[1-[2,6-di(propan-2-yl)phenyl]-2,5-dihydroxypyrrol-3-yl]-(2-methylprop-2-enoyl)amino]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-2-methylprop-2-enamide.

Molecular Properties

• Compound Name: N-[1-[2,6-di(propan-2-yl)phenyl]-2,5-dihydroxypyrrol-3-yl]-N-[1-[[1-[2,6-di(propan-2-yl)phenyl]-2,5-dihydroxypyrrol-3-yl]-(2-methylprop-2-enoyl)amino]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-2-methylprop-2-enamide
• PubChem CID: 123254022
• Molecular Formula: C76H52N4O6
• Molecular Weight: 1117.27 g/mol
• Exact Mass: 1116.39
• IUPAC Name: N-[1-[2,6-di(propan-2-yl)phenyl]-2,5-dihydroxypyrrol-3-yl]-N-[1-[[1-[2,6-di(propan-2-yl)phenyl]-2,5-dihydroxypyrrol-3-yl]-(2-methylprop-2-enoyl)amino]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-2-methylprop-2-enamide
• SMILES: C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C(N(C(=O)C(=C)C)c1cc(O)n(-c2c(C(C)C)cccc2C(C)C)c1O)N(C(=O)C(=C)C)c1cc(O)n(-c2c(C(C)C)cccc2C(C)C)c1O
• InChI: InChI=1S/C76H52N4O6/c1-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-53-68(77(73(83)60(10)11)66-54-69(81)79(75(66)85)71-62(56(2)3)49-47-50-63(71)57(4)5)78(74(84)61(12)13)67-55-70(82)80(76(67)86)72-64(58(6)7)51-48-52-65(72)59(8)9/h47-52,54-59,81-82,85-86H,1,10,12H2,2-9,11,13H3
• InChIKey: PPRQLFKLIYCOOB-UHFFFAOYSA-N
• XLogP: 14.85
• TPSA: 131.40 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1117.27
LogP ≤ 5	14.85
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[2,6-di(propan-2-yl)phenyl]-2,5-dihydroxypyrrol-3-yl]-N-[1-[[1-[2,6-di(propan-2-yl)phenyl]-2,5-dihydroxypyrrol-3-yl]-(2-methylprop-2-enoyl)amino]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-2-methylprop-2-enamide?

The IUPAC name of N-[1-[2,6-di(propan-2-yl)phenyl]-2,5-dihydroxypyrrol-3-yl]-N-[1-[[1-[2,6-di(propan-2-yl)phenyl]-2,5-dihydroxypyrrol-3-yl]-(2-methylprop-2-enoyl)amino]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-2-methylprop-2-enamide (CID 123254022) is N-[1-[2,6-di(propan-2-yl)phenyl]-2,5-dihydroxypyrrol-3-yl]-N-[1-[[1-[2,6-di(propan-2-yl)phenyl]-2,5-dihydroxypyrrol-3-yl]-(2-methylprop-2-enoyl)amino]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-2-methylprop-2-enamide.

What is the SMILES notation for N-[1-[2,6-di(propan-2-yl)phenyl]-2,5-dihydroxypyrrol-3-yl]-N-[1-[[1-[2,6-di(propan-2-yl)phenyl]-2,5-dihydroxypyrrol-3-yl]-(2-methylprop-2-enoyl)amino]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-2-methylprop-2-enamide?

The canonical SMILES for N-[1-[2,6-di(propan-2-yl)phenyl]-2,5-dihydroxypyrrol-3-yl]-N-[1-[[1-[2,6-di(propan-2-yl)phenyl]-2,5-dihydroxypyrrol-3-yl]-(2-methylprop-2-enoyl)amino]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-2-methylprop-2-enamide is C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C(N(C(=O)C(=C)C)c1cc(O)n(-c2c(C(C)C)cccc2C(C)C)c1O)N(C(=O)C(=C)C)c1cc(O)n(-c2c(C(C)C)cccc2C(C)C)c1O.

What is the InChIKey of N-[1-[2,6-di(propan-2-yl)phenyl]-2,5-dihydroxypyrrol-3-yl]-N-[1-[[1-[2,6-di(propan-2-yl)phenyl]-2,5-dihydroxypyrrol-3-yl]-(2-methylprop-2-enoyl)amino]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-2-methylprop-2-enamide?

The InChIKey is PPRQLFKLIYCOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H52N4O6/c1-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-53-68(77(73(83)60(10)11)66-54-69(81)79(75(66)85)71-62(56(2)3)49-47-50-63(71)57(4)5)78(74(84)61(12)13)67-55-70(82)80(76(67)86)72-64(58(6)7)51-48-52-65(72)59(8)9/h47-52,54-59,81-82,85-86H,1,10,12H2,2-9,11,13H3.

What are the key properties of N-[1-[2,6-di(propan-2-yl)phenyl]-2,5-dihydroxypyrrol-3-yl]-N-[1-[[1-[2,6-di(propan-2-yl)phenyl]-2,5-dihydroxypyrrol-3-yl]-(2-methylprop-2-enoyl)amino]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-2-methylprop-2-enamide?

N-[1-[2,6-di(propan-2-yl)phenyl]-2,5-dihydroxypyrrol-3-yl]-N-[1-[[1-[2,6-di(propan-2-yl)phenyl]-2,5-dihydroxypyrrol-3-yl]-(2-methylprop-2-enoyl)amino]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-2-methylprop-2-enamide has a molecular weight of 1117.27 g/mol, XLogP of 14.85, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[2,6-di(propan-2-yl)phenyl]-2,5-dihydroxypyrrol-3-yl]-N-[1-[[1-[2,6-di(propan-2-yl)phenyl]-2,5-dihydroxypyrrol-3-yl]-(2-methylprop-2-enoyl)amino]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-2-methylprop-2-enamide is sourced from PubChem (CID 123254022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).