18,24-ditert-butyl-5-(4-tert-butylphenyl)spiro[1,5-diazaoctacyclo[14.11.1.13,26.02,14.04,12.06,11.020,28.022,27]nonacosa-2(14),3,6,8,10,12,16(28),17,19,22,24,26-dodecaene-21,9'-fluorene]-15,29-dione

C57H48N2O2 — CID 169078206

About 18,24-ditert-butyl-5-(4-tert-butylphenyl)spiro[1,5-diazaoctacyclo[14.11.1.13,26.02,14.04,12.06,11.020,28.022,27]nonacosa-2(14),3,6,8,10,12,16(28),17,19,22,24,26-dodecaene-21,9'-fluorene]-15,29-dione

18,24-ditert-butyl-5-(4-tert-butylphenyl)spiro[1,5-diazaoctacyclo[14.11.1.13,26.02,14.04,12.06,11.020,28.022,27]nonacosa-2(14),3,6,8,10,12,16(28),17,19,22,24,26-dodecaene-21,9'-fluorene]-15,29-dione (PubChem CID 169078206) has the molecular formula C57H48N2O2 and a molecular weight of 793.02 g/mol. Its IUPAC name is 18,24-ditert-butyl-5-(4-tert-butylphenyl)spiro[1,5-diazaoctacyclo[14.11.1.13,26.02,14.04,12.06,11.020,28.022,27]nonacosa-2(14),3,6,8,10,12,16(28),17,19,22,24,26-dodecaene-21,9'-fluorene]-15,29-dione.

Molecular Properties

• Compound Name: 18,24-ditert-butyl-5-(4-tert-butylphenyl)spiro[1,5-diazaoctacyclo[14.11.1.13,26.02,14.04,12.06,11.020,28.022,27]nonacosa-2(14),3,6,8,10,12,16(28),17,19,22,24,26-dodecaene-21,9'-fluorene]-15,29-dione
• PubChem CID: 169078206
• Molecular Formula: C57H48N2O2
• Molecular Weight: 793.02 g/mol
• Exact Mass: 792.37
• IUPAC Name: 18,24-ditert-butyl-5-(4-tert-butylphenyl)spiro[1,5-diazaoctacyclo[14.11.1.13,26.02,14.04,12.06,11.020,28.022,27]nonacosa-2(14),3,6,8,10,12,16(28),17,19,22,24,26-dodecaene-21,9'-fluorene]-15,29-dione
• SMILES: CC(C)(C)c1ccc(-n2c3ccccc3c3cc4c(=O)c5cc(C(C)(C)C)cc6c5n5c7c(cc(C(C)(C)C)cc7c(=O)c(c32)c45)C62c3ccccc3-c3ccccc32)cc1
• InChI: InChI=1S/C57H48N2O2/c1-54(2,3)31-22-24-34(25-23-31)58-46-21-15-12-18-37(46)38-30-41-51-47(50(38)58)53(61)40-27-33(56(7,8)9)29-45-49(40)59(51)48-39(52(41)60)26-32(55(4,5)6)28-44(48)57(45)42-19-13-10-16-35(42)36-17-11-14-20-43(36)57/h10-30H,1-9H3
• InChIKey: LHXLWLROOLPUPN-UHFFFAOYSA-N
• XLogP: 13.22
• TPSA: 43.48 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	793.02
LogP ≤ 5	13.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 18,24-ditert-butyl-5-(4-tert-butylphenyl)spiro[1,5-diazaoctacyclo[14.11.1.13,26.02,14.04,12.06,11.020,28.022,27]nonacosa-2(14),3,6,8,10,12,16(28),17,19,22,24,26-dodecaene-21,9'-fluorene]-15,29-dione?

The IUPAC name of 18,24-ditert-butyl-5-(4-tert-butylphenyl)spiro[1,5-diazaoctacyclo[14.11.1.13,26.02,14.04,12.06,11.020,28.022,27]nonacosa-2(14),3,6,8,10,12,16(28),17,19,22,24,26-dodecaene-21,9'-fluorene]-15,29-dione (CID 169078206) is 18,24-ditert-butyl-5-(4-tert-butylphenyl)spiro[1,5-diazaoctacyclo[14.11.1.13,26.02,14.04,12.06,11.020,28.022,27]nonacosa-2(14),3,6,8,10,12,16(28),17,19,22,24,26-dodecaene-21,9'-fluorene]-15,29-dione.

What is the SMILES notation for 18,24-ditert-butyl-5-(4-tert-butylphenyl)spiro[1,5-diazaoctacyclo[14.11.1.13,26.02,14.04,12.06,11.020,28.022,27]nonacosa-2(14),3,6,8,10,12,16(28),17,19,22,24,26-dodecaene-21,9'-fluorene]-15,29-dione?

The canonical SMILES for 18,24-ditert-butyl-5-(4-tert-butylphenyl)spiro[1,5-diazaoctacyclo[14.11.1.13,26.02,14.04,12.06,11.020,28.022,27]nonacosa-2(14),3,6,8,10,12,16(28),17,19,22,24,26-dodecaene-21,9'-fluorene]-15,29-dione is CC(C)(C)c1ccc(-n2c3ccccc3c3cc4c(=O)c5cc(C(C)(C)C)cc6c5n5c7c(cc(C(C)(C)C)cc7c(=O)c(c32)c45)C62c3ccccc3-c3ccccc32)cc1.

What is the InChIKey of 18,24-ditert-butyl-5-(4-tert-butylphenyl)spiro[1,5-diazaoctacyclo[14.11.1.13,26.02,14.04,12.06,11.020,28.022,27]nonacosa-2(14),3,6,8,10,12,16(28),17,19,22,24,26-dodecaene-21,9'-fluorene]-15,29-dione?

The InChIKey is LHXLWLROOLPUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H48N2O2/c1-54(2,3)31-22-24-34(25-23-31)58-46-21-15-12-18-37(46)38-30-41-51-47(50(38)58)53(61)40-27-33(56(7,8)9)29-45-49(40)59(51)48-39(52(41)60)26-32(55(4,5)6)28-44(48)57(45)42-19-13-10-16-35(42)36-17-11-14-20-43(36)57/h10-30H,1-9H3.

What are the key properties of 18,24-ditert-butyl-5-(4-tert-butylphenyl)spiro[1,5-diazaoctacyclo[14.11.1.13,26.02,14.04,12.06,11.020,28.022,27]nonacosa-2(14),3,6,8,10,12,16(28),17,19,22,24,26-dodecaene-21,9'-fluorene]-15,29-dione?

18,24-ditert-butyl-5-(4-tert-butylphenyl)spiro[1,5-diazaoctacyclo[14.11.1.13,26.02,14.04,12.06,11.020,28.022,27]nonacosa-2(14),3,6,8,10,12,16(28),17,19,22,24,26-dodecaene-21,9'-fluorene]-15,29-dione has a molecular weight of 793.02 g/mol, XLogP of 13.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 18,24-ditert-butyl-5-(4-tert-butylphenyl)spiro[1,5-diazaoctacyclo[14.11.1.13,26.02,14.04,12.06,11.020,28.022,27]nonacosa-2(14),3,6,8,10,12,16(28),17,19,22,24,26-dodecaene-21,9'-fluorene]-15,29-dione is sourced from PubChem (CID 169078206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).