20,24-bis(2,2-dimethylpropyl)-9,10-diiodo-1,14-diazaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8(26),9,11(27),12,14,16(25),17,19,21,23-tridecaene

C35H32I2N2 — CID 170234395

About 20,24-bis(2,2-dimethylpropyl)-9,10-diiodo-1,14-diazaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8(26),9,11(27),12,14,16(25),17,19,21,23-tridecaene

20,24-bis(2,2-dimethylpropyl)-9,10-diiodo-1,14-diazaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8(26),9,11(27),12,14,16(25),17,19,21,23-tridecaene (PubChem CID 170234395) has the molecular formula C35H32I2N2 and a molecular weight of 734.46 g/mol. Its IUPAC name is 20,24-bis(2,2-dimethylpropyl)-9,10-diiodo-1,14-diazaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8(26),9,11(27),12,14,16(25),17,19,21,23-tridecaene.

Molecular Properties

• Compound Name: 20,24-bis(2,2-dimethylpropyl)-9,10-diiodo-1,14-diazaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8(26),9,11(27),12,14,16(25),17,19,21,23-tridecaene
• PubChem CID: 170234395
• Molecular Formula: C35H32I2N2
• Molecular Weight: 734.46 g/mol
• Exact Mass: 734.07
• IUPAC Name: 20,24-bis(2,2-dimethylpropyl)-9,10-diiodo-1,14-diazaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8(26),9,11(27),12,14,16(25),17,19,21,23-tridecaene
• SMILES: CC(C)(C)Cc1ccc2c(CC(C)(C)C)c3c(cc2c1)c1nccc2c(I)c(I)c4c5ccccc5n3c4c21
• InChI: InChI=1S/C35H32I2N2/c1-34(2,3)17-19-11-12-21-20(15-19)16-24-31-28-23(13-14-38-31)29(36)30(37)27-22-9-7-8-10-26(22)39(33(27)28)32(24)25(21)18-35(4,5)6/h7-16H,17-18H2,1-6H3
• InChIKey: GCKFSELLLHBZMN-UHFFFAOYSA-N
• XLogP: 10.92
• TPSA: 17.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	734.46
LogP ≤ 5	10.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}, {'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 20,24-bis(2,2-dimethylpropyl)-9,10-diiodo-1,14-diazaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8(26),9,11(27),12,14,16(25),17,19,21,23-tridecaene?

The IUPAC name of 20,24-bis(2,2-dimethylpropyl)-9,10-diiodo-1,14-diazaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8(26),9,11(27),12,14,16(25),17,19,21,23-tridecaene (CID 170234395) is 20,24-bis(2,2-dimethylpropyl)-9,10-diiodo-1,14-diazaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8(26),9,11(27),12,14,16(25),17,19,21,23-tridecaene.

What is the SMILES notation for 20,24-bis(2,2-dimethylpropyl)-9,10-diiodo-1,14-diazaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8(26),9,11(27),12,14,16(25),17,19,21,23-tridecaene?

The canonical SMILES for 20,24-bis(2,2-dimethylpropyl)-9,10-diiodo-1,14-diazaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8(26),9,11(27),12,14,16(25),17,19,21,23-tridecaene is CC(C)(C)Cc1ccc2c(CC(C)(C)C)c3c(cc2c1)c1nccc2c(I)c(I)c4c5ccccc5n3c4c21.

What is the InChIKey of 20,24-bis(2,2-dimethylpropyl)-9,10-diiodo-1,14-diazaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8(26),9,11(27),12,14,16(25),17,19,21,23-tridecaene?

The InChIKey is GCKFSELLLHBZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32I2N2/c1-34(2,3)17-19-11-12-21-20(15-19)16-24-31-28-23(13-14-38-31)29(36)30(37)27-22-9-7-8-10-26(22)39(33(27)28)32(24)25(21)18-35(4,5)6/h7-16H,17-18H2,1-6H3.

What are the key properties of 20,24-bis(2,2-dimethylpropyl)-9,10-diiodo-1,14-diazaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8(26),9,11(27),12,14,16(25),17,19,21,23-tridecaene?

20,24-bis(2,2-dimethylpropyl)-9,10-diiodo-1,14-diazaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8(26),9,11(27),12,14,16(25),17,19,21,23-tridecaene has a molecular weight of 734.46 g/mol, XLogP of 10.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 20,24-bis(2,2-dimethylpropyl)-9,10-diiodo-1,14-diazaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8(26),9,11(27),12,14,16(25),17,19,21,23-tridecaene is sourced from PubChem (CID 170234395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).