(2,5-dioxopyrrolidin-1-yl) 4-(2,3,6-triiodobenzoyl)oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 5-(2,3,6-triiodobenzoyl)oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 6-(2,3,6-triiodobenzoyl)oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylate;bis((2,5-dioxopyrrolidin-1-yl) 4-(2,3,6-triiodobenzoyl)oxynaphthalene-1-carboxylate);(2,5-dioxopyrrolidin-1-yl) 6-(2,3,6-triiodobenzoyl)oxynaphthalene-2-carboxylate

C132H102I18N6O36 — CID 157087056

About (2,5-dioxopyrrolidin-1-yl) 4-(2,3,6-triiodobenzoyl)oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 5-(2,3,6-triiodobenzoyl)oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 6-(2,3,6-triiodobenzoyl)oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylate;bis((2,5-dioxopyrrolidin-1-yl) 4-(2,3,6-triiodobenzoyl)oxynaphthalene-1-carboxylate);(2,5-dioxopyrrolidin-1-yl) 6-(2,3,6-triiodobenzoyl)oxynaphthalene-2-carboxylate

(2,5-dioxopyrrolidin-1-yl) 4-(2,3,6-triiodobenzoyl)oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 5-(2,3,6-triiodobenzoyl)oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 6-(2,3,6-triiodobenzoyl)oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylate;bis((2,5-dioxopyrrolidin-1-yl) 4-(2,3,6-triiodobenzoyl)oxynaphthalene-1-carboxylate);(2,5-dioxopyrrolidin-1-yl) 6-(2,3,6-triiodobenzoyl)oxynaphthalene-2-carboxylate (PubChem CID 157087056) has the molecular formula C132H102I18N6O36 and a molecular weight of 4632.55 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-(2,3,6-triiodobenzoyl)oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 5-(2,3,6-triiodobenzoyl)oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 6-(2,3,6-triiodobenzoyl)oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylate;bis((2,5-dioxopyrrolidin-1-yl) 4-(2,3,6-triiodobenzoyl)oxynaphthalene-1-carboxylate);(2,5-dioxopyrrolidin-1-yl) 6-(2,3,6-triiodobenzoyl)oxynaphthalene-2-carboxylate.

Molecular Properties

• Compound Name: (2,5-dioxopyrrolidin-1-yl) 4-(2,3,6-triiodobenzoyl)oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 5-(2,3,6-triiodobenzoyl)oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 6-(2,3,6-triiodobenzoyl)oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylate;bis((2,5-dioxopyrrolidin-1-yl) 4-(2,3,6-triiodobenzoyl)oxynaphthalene-1-carboxylate);(2,5-dioxopyrrolidin-1-yl) 6-(2,3,6-triiodobenzoyl)oxynaphthalene-2-carboxylate
• PubChem CID: 157087056
• Molecular Formula: C132H102I18N6O36
• Molecular Weight: 4632.55 g/mol
• Exact Mass: 4630.91
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 4-(2,3,6-triiodobenzoyl)oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 5-(2,3,6-triiodobenzoyl)oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 6-(2,3,6-triiodobenzoyl)oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylate;bis((2,5-dioxopyrrolidin-1-yl) 4-(2,3,6-triiodobenzoyl)oxynaphthalene-1-carboxylate);(2,5-dioxopyrrolidin-1-yl) 6-(2,3,6-triiodobenzoyl)oxynaphthalene-2-carboxylate
• SMILES: O=C(OC1CCC(C(=O)ON2C(=O)CCC2=O)C2CCCCC12)c1c(I)ccc(I)c1I.O=C(OC1CCC2CC(C(=O)ON3C(=O)CCC3=O)CCC2C1)c1c(I)ccc(I)c1I.O=C(OC1CCCC2C(C(=O)ON3C(=O)CCC3=O)CCCC12)c1c(I)ccc(I)c1I.O=C(ON1C(=O)CCC1=O)c1ccc2cc(OC(=O)c3c(I)ccc(I)c3I)ccc2c1.O=C(Oc1ccc(C(=O)ON2C(=O)CCC2=O)c2ccccc12)c1c(I)ccc(I)c1I.O=C(Oc1ccc(C(=O)ON2C(=O)CCC2=O)c2ccccc12)c1c(I)ccc(I)c1I
• InChI: InChI=1S/2C22H22I3NO6.C22H12I3NO6.C22H22I3NO6.2C22H12I3NO6/c23-14-7-8-15(24)20(25)19(14)22(30)31-16-6-2-3-11-12(16)4-1-5-13(11)21(29)32-26-17(27)9-10-18(26)28;2*23-15-5-6-16(24)20(25)19(15)22(30)31-14-4-3-11-9-13(2-1-12(11)10-14)21(29)32-26-17(27)7-8-18(26)28;3*23-14-6-7-15(24)20(25)19(14)22(30)31-16-8-5-13(11-3-1-2-4-12(11)16)21(29)32-26-17(27)9-10-18(26)28/h7-8,11-13,16H,1-6,9-10H2;5-6,11-14H,1-4,7-10H2;1-6,9-10H,7-8H2;6-7,11-13,16H,1-5,8-10H2;2*1-8H,9-10H2
• InChIKey: AEFFHLJJHLBACU-UHFFFAOYSA-N
• XLogP: 29.83
• TPSA: 539.88 Ų
• H-Bond Acceptors: 36
• Rotatable Bonds: 24
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4632.55
LogP ≤ 5	29.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-(2,3,6-triiodobenzoyl)oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 5-(2,3,6-triiodobenzoyl)oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 6-(2,3,6-triiodobenzoyl)oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylate;bis((2,5-dioxopyrrolidin-1-yl) 4-(2,3,6-triiodobenzoyl)oxynaphthalene-1-carboxylate);(2,5-dioxopyrrolidin-1-yl) 6-(2,3,6-triiodobenzoyl)oxynaphthalene-2-carboxylate?

The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-(2,3,6-triiodobenzoyl)oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 5-(2,3,6-triiodobenzoyl)oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 6-(2,3,6-triiodobenzoyl)oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylate;bis((2,5-dioxopyrrolidin-1-yl) 4-(2,3,6-triiodobenzoyl)oxynaphthalene-1-carboxylate);(2,5-dioxopyrrolidin-1-yl) 6-(2,3,6-triiodobenzoyl)oxynaphthalene-2-carboxylate (CID 157087056) is (2,5-dioxopyrrolidin-1-yl) 4-(2,3,6-triiodobenzoyl)oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 5-(2,3,6-triiodobenzoyl)oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 6-(2,3,6-triiodobenzoyl)oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylate;bis((2,5-dioxopyrrolidin-1-yl) 4-(2,3,6-triiodobenzoyl)oxynaphthalene-1-carboxylate);(2,5-dioxopyrrolidin-1-yl) 6-(2,3,6-triiodobenzoyl)oxynaphthalene-2-carboxylate.

What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-(2,3,6-triiodobenzoyl)oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 5-(2,3,6-triiodobenzoyl)oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 6-(2,3,6-triiodobenzoyl)oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylate;bis((2,5-dioxopyrrolidin-1-yl) 4-(2,3,6-triiodobenzoyl)oxynaphthalene-1-carboxylate);(2,5-dioxopyrrolidin-1-yl) 6-(2,3,6-triiodobenzoyl)oxynaphthalene-2-carboxylate?

The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-(2,3,6-triiodobenzoyl)oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 5-(2,3,6-triiodobenzoyl)oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 6-(2,3,6-triiodobenzoyl)oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylate;bis((2,5-dioxopyrrolidin-1-yl) 4-(2,3,6-triiodobenzoyl)oxynaphthalene-1-carboxylate);(2,5-dioxopyrrolidin-1-yl) 6-(2,3,6-triiodobenzoyl)oxynaphthalene-2-carboxylate is O=C(OC1CCC(C(=O)ON2C(=O)CCC2=O)C2CCCCC12)c1c(I)ccc(I)c1I.O=C(OC1CCC2CC(C(=O)ON3C(=O)CCC3=O)CCC2C1)c1c(I)ccc(I)c1I.O=C(OC1CCCC2C(C(=O)ON3C(=O)CCC3=O)CCCC12)c1c(I)ccc(I)c1I.O=C(ON1C(=O)CCC1=O)c1ccc2cc(OC(=O)c3c(I)ccc(I)c3I)ccc2c1.O=C(Oc1ccc(C(=O)ON2C(=O)CCC2=O)c2ccccc12)c1c(I)ccc(I)c1I.O=C(Oc1ccc(C(=O)ON2C(=O)CCC2=O)c2ccccc12)c1c(I)ccc(I)c1I.

What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-(2,3,6-triiodobenzoyl)oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 5-(2,3,6-triiodobenzoyl)oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 6-(2,3,6-triiodobenzoyl)oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylate;bis((2,5-dioxopyrrolidin-1-yl) 4-(2,3,6-triiodobenzoyl)oxynaphthalene-1-carboxylate);(2,5-dioxopyrrolidin-1-yl) 6-(2,3,6-triiodobenzoyl)oxynaphthalene-2-carboxylate?

The InChIKey is AEFFHLJJHLBACU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H22I3NO6.C22H12I3NO6.C22H22I3NO6.2C22H12I3NO6/c23-14-7-8-15(24)20(25)19(14)22(30)31-16-6-2-3-11-12(16)4-1-5-13(11)21(29)32-26-17(27)9-10-18(26)28;2*23-15-5-6-16(24)20(25)19(15)22(30)31-14-4-3-11-9-13(2-1-12(11)10-14)21(29)32-26-17(27)7-8-18(26)28;3*23-14-6-7-15(24)20(25)19(14)22(30)31-16-8-5-13(11-3-1-2-4-12(11)16)21(29)32-26-17(27)9-10-18(26)28/h7-8,11-13,16H,1-6,9-10H2;5-6,11-14H,1-4,7-10H2;1-6,9-10H,7-8H2;6-7,11-13,16H,1-5,8-10H2;2*1-8H,9-10H2.

What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-(2,3,6-triiodobenzoyl)oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 5-(2,3,6-triiodobenzoyl)oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 6-(2,3,6-triiodobenzoyl)oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylate;bis((2,5-dioxopyrrolidin-1-yl) 4-(2,3,6-triiodobenzoyl)oxynaphthalene-1-carboxylate);(2,5-dioxopyrrolidin-1-yl) 6-(2,3,6-triiodobenzoyl)oxynaphthalene-2-carboxylate?

(2,5-dioxopyrrolidin-1-yl) 4-(2,3,6-triiodobenzoyl)oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 5-(2,3,6-triiodobenzoyl)oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 6-(2,3,6-triiodobenzoyl)oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylate;bis((2,5-dioxopyrrolidin-1-yl) 4-(2,3,6-triiodobenzoyl)oxynaphthalene-1-carboxylate);(2,5-dioxopyrrolidin-1-yl) 6-(2,3,6-triiodobenzoyl)oxynaphthalene-2-carboxylate has a molecular weight of 4632.55 g/mol, XLogP of 29.83, 24 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dioxopyrrolidin-1-yl) 4-(2,3,6-triiodobenzoyl)oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 5-(2,3,6-triiodobenzoyl)oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 6-(2,3,6-triiodobenzoyl)oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylate;bis((2,5-dioxopyrrolidin-1-yl) 4-(2,3,6-triiodobenzoyl)oxynaphthalene-1-carboxylate);(2,5-dioxopyrrolidin-1-yl) 6-(2,3,6-triiodobenzoyl)oxynaphthalene-2-carboxylate is sourced from PubChem (CID 157087056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).