N-[7-[4-[7-[9,9-bis[3-(2-methoxyethoxy)propyl]-7-methylfluoren-2-yl]-9-methyl-9-[4-(propanoylamino)butyl]fluoren-2-yl]phenyl]-4-oxoheptyl]-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide

C72H89N3O9 — CID 58479292

About N-[7-[4-[7-[9,9-bis[3-(2-methoxyethoxy)propyl]-7-methylfluoren-2-yl]-9-methyl-9-[4-(propanoylamino)butyl]fluoren-2-yl]phenyl]-4-oxoheptyl]-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide

N-[7-[4-[7-[9,9-bis[3-(2-methoxyethoxy)propyl]-7-methylfluoren-2-yl]-9-methyl-9-[4-(propanoylamino)butyl]fluoren-2-yl]phenyl]-4-oxoheptyl]-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 58479292) has the molecular formula C72H89N3O9 and a molecular weight of 1140.52 g/mol. Its IUPAC name is N-[7-[4-[7-[9,9-bis[3-(2-methoxyethoxy)propyl]-7-methylfluoren-2-yl]-9-methyl-9-[4-(propanoylamino)butyl]fluoren-2-yl]phenyl]-4-oxoheptyl]-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: N-[7-[4-[7-[9,9-bis[3-(2-methoxyethoxy)propyl]-7-methylfluoren-2-yl]-9-methyl-9-[4-(propanoylamino)butyl]fluoren-2-yl]phenyl]-4-oxoheptyl]-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide
• PubChem CID: 58479292
• Molecular Formula: C72H89N3O9
• Molecular Weight: 1140.52 g/mol
• Exact Mass: 1139.66
• IUPAC Name: N-[7-[4-[7-[9,9-bis[3-(2-methoxyethoxy)propyl]-7-methylfluoren-2-yl]-9-methyl-9-[4-(propanoylamino)butyl]fluoren-2-yl]phenyl]-4-oxoheptyl]-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide
• SMILES: CCC(=O)NCCCCC1(C)c2cc(-c3ccc(CCCC(=O)CCCNC(=O)C4CCC(CN5C(=O)C=CC5=O)CC4)cc3)ccc2-c2ccc(-c3ccc4c(c3)C(CCCOCCOC)(CCCOCCOC)c3cc(C)ccc3-4)cc21
• InChI: InChI=1S/C72H89N3O9/c1-6-67(77)73-37-8-7-34-71(3)63-46-55(53-21-17-51(18-22-53)13-9-14-58(76)15-10-38-74-70(80)54-23-19-52(20-24-54)49-75-68(78)32-33-69(75)79)25-29-59(63)60-30-26-56(47-64(60)71)57-27-31-62-61-28-16-50(2)45-65(61)72(66(62)48-57,35-11-39-83-43-41-81-4)36-12-40-84-44-42-82-5/h16-18,21-22,25-33,45-48,52,54H,6-15,19-20,23-24,34-44,49H2,1-5H3,(H,73,77)(H,74,80)
• InChIKey: BTJAHASKCAQNEF-UHFFFAOYSA-N
• XLogP: 12.98
• TPSA: 149.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 33
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1140.52
LogP ≤ 5	12.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[7-[4-[7-[9,9-bis[3-(2-methoxyethoxy)propyl]-7-methylfluoren-2-yl]-9-methyl-9-[4-(propanoylamino)butyl]fluoren-2-yl]phenyl]-4-oxoheptyl]-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide?

The IUPAC name of N-[7-[4-[7-[9,9-bis[3-(2-methoxyethoxy)propyl]-7-methylfluoren-2-yl]-9-methyl-9-[4-(propanoylamino)butyl]fluoren-2-yl]phenyl]-4-oxoheptyl]-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide (CID 58479292) is N-[7-[4-[7-[9,9-bis[3-(2-methoxyethoxy)propyl]-7-methylfluoren-2-yl]-9-methyl-9-[4-(propanoylamino)butyl]fluoren-2-yl]phenyl]-4-oxoheptyl]-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide.

What is the SMILES notation for N-[7-[4-[7-[9,9-bis[3-(2-methoxyethoxy)propyl]-7-methylfluoren-2-yl]-9-methyl-9-[4-(propanoylamino)butyl]fluoren-2-yl]phenyl]-4-oxoheptyl]-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide?

The canonical SMILES for N-[7-[4-[7-[9,9-bis[3-(2-methoxyethoxy)propyl]-7-methylfluoren-2-yl]-9-methyl-9-[4-(propanoylamino)butyl]fluoren-2-yl]phenyl]-4-oxoheptyl]-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide is CCC(=O)NCCCCC1(C)c2cc(-c3ccc(CCCC(=O)CCCNC(=O)C4CCC(CN5C(=O)C=CC5=O)CC4)cc3)ccc2-c2ccc(-c3ccc4c(c3)C(CCCOCCOC)(CCCOCCOC)c3cc(C)ccc3-4)cc21.

What is the InChIKey of N-[7-[4-[7-[9,9-bis[3-(2-methoxyethoxy)propyl]-7-methylfluoren-2-yl]-9-methyl-9-[4-(propanoylamino)butyl]fluoren-2-yl]phenyl]-4-oxoheptyl]-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide?

The InChIKey is BTJAHASKCAQNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H89N3O9/c1-6-67(77)73-37-8-7-34-71(3)63-46-55(53-21-17-51(18-22-53)13-9-14-58(76)15-10-38-74-70(80)54-23-19-52(20-24-54)49-75-68(78)32-33-69(75)79)25-29-59(63)60-30-26-56(47-64(60)71)57-27-31-62-61-28-16-50(2)45-65(61)72(66(62)48-57,35-11-39-83-43-41-81-4)36-12-40-84-44-42-82-5/h16-18,21-22,25-33,45-48,52,54H,6-15,19-20,23-24,34-44,49H2,1-5H3,(H,73,77)(H,74,80).

What are the key properties of N-[7-[4-[7-[9,9-bis[3-(2-methoxyethoxy)propyl]-7-methylfluoren-2-yl]-9-methyl-9-[4-(propanoylamino)butyl]fluoren-2-yl]phenyl]-4-oxoheptyl]-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide?

N-[7-[4-[7-[9,9-bis[3-(2-methoxyethoxy)propyl]-7-methylfluoren-2-yl]-9-methyl-9-[4-(propanoylamino)butyl]fluoren-2-yl]phenyl]-4-oxoheptyl]-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide has a molecular weight of 1140.52 g/mol, XLogP of 12.98, 33 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-[4-[7-[9,9-bis[3-(2-methoxyethoxy)propyl]-7-methylfluoren-2-yl]-9-methyl-9-[4-(propanoylamino)butyl]fluoren-2-yl]phenyl]-4-oxoheptyl]-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 58479292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).