4,4-diphenyl-15λ3-ioda-35-azaundecacyclo[20.15.1.124,28.02,14.03,11.05,10.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2(14),3(11),5,7,9,12,16,18,20,22(38),23(36),24,26,28(39),29,31,33-octadecaene

C49H28IN — CID 163424991

About 4,4-diphenyl-15λ3-ioda-35-azaundecacyclo[20.15.1.124,28.02,14.03,11.05,10.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2(14),3(11),5,7,9,12,16,18,20,22(38),23(36),24,26,28(39),29,31,33-octadecaene

4,4-diphenyl-15λ3-ioda-35-azaundecacyclo[20.15.1.124,28.02,14.03,11.05,10.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2(14),3(11),5,7,9,12,16,18,20,22(38),23(36),24,26,28(39),29,31,33-octadecaene (PubChem CID 163424991) has the molecular formula C49H28IN and a molecular weight of 757.67 g/mol. Its IUPAC name is 4,4-diphenyl-15λ3-ioda-35-azaundecacyclo[20.15.1.124,28.02,14.03,11.05,10.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2(14),3(11),5,7,9,12,16,18,20,22(38),23(36),24,26,28(39),29,31,33-octadecaene.

Molecular Properties

• Compound Name: 4,4-diphenyl-15λ3-ioda-35-azaundecacyclo[20.15.1.124,28.02,14.03,11.05,10.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2(14),3(11),5,7,9,12,16,18,20,22(38),23(36),24,26,28(39),29,31,33-octadecaene
• PubChem CID: 163424991
• Molecular Formula: C49H28IN
• Molecular Weight: 757.67 g/mol
• Exact Mass: 757.13
• IUPAC Name: 4,4-diphenyl-15λ3-ioda-35-azaundecacyclo[20.15.1.124,28.02,14.03,11.05,10.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2(14),3(11),5,7,9,12,16,18,20,22(38),23(36),24,26,28(39),29,31,33-octadecaene
• SMILES: c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc4c(c32)-c2cc3c(c5c2I4c2ccccc2-5)c2cccc4c5ccccc5n3c42)cc1
• InChI: InChI=1S/C49H28IN/c1-3-14-29(15-4-1)49(30-16-5-2-6-17-30)38-23-10-7-18-31(38)33-26-27-40-43(46(33)49)37-28-42-44(45-35-20-8-11-24-39(35)50(40)47(37)45)36-22-13-21-34-32-19-9-12-25-41(32)51(42)48(34)36/h1-28H
• InChIKey: ALSAPZPAUHPKOZ-UHFFFAOYSA-N
• XLogP: 12.58
• TPSA: 4.41 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	757.67
LogP ≤ 5	12.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4,4-diphenyl-15λ3-ioda-35-azaundecacyclo[20.15.1.124,28.02,14.03,11.05,10.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2(14),3(11),5,7,9,12,16,18,20,22(38),23(36),24,26,28(39),29,31,33-octadecaene?

The IUPAC name of 4,4-diphenyl-15λ3-ioda-35-azaundecacyclo[20.15.1.124,28.02,14.03,11.05,10.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2(14),3(11),5,7,9,12,16,18,20,22(38),23(36),24,26,28(39),29,31,33-octadecaene (CID 163424991) is 4,4-diphenyl-15λ3-ioda-35-azaundecacyclo[20.15.1.124,28.02,14.03,11.05,10.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2(14),3(11),5,7,9,12,16,18,20,22(38),23(36),24,26,28(39),29,31,33-octadecaene.

What is the SMILES notation for 4,4-diphenyl-15λ3-ioda-35-azaundecacyclo[20.15.1.124,28.02,14.03,11.05,10.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2(14),3(11),5,7,9,12,16,18,20,22(38),23(36),24,26,28(39),29,31,33-octadecaene?

The canonical SMILES for 4,4-diphenyl-15λ3-ioda-35-azaundecacyclo[20.15.1.124,28.02,14.03,11.05,10.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2(14),3(11),5,7,9,12,16,18,20,22(38),23(36),24,26,28(39),29,31,33-octadecaene is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc4c(c32)-c2cc3c(c5c2I4c2ccccc2-5)c2cccc4c5ccccc5n3c42)cc1.

What is the InChIKey of 4,4-diphenyl-15λ3-ioda-35-azaundecacyclo[20.15.1.124,28.02,14.03,11.05,10.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2(14),3(11),5,7,9,12,16,18,20,22(38),23(36),24,26,28(39),29,31,33-octadecaene?

The InChIKey is ALSAPZPAUHPKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H28IN/c1-3-14-29(15-4-1)49(30-16-5-2-6-17-30)38-23-10-7-18-31(38)33-26-27-40-43(46(33)49)37-28-42-44(45-35-20-8-11-24-39(35)50(40)47(37)45)36-22-13-21-34-32-19-9-12-25-41(32)51(42)48(34)36/h1-28H.

What are the key properties of 4,4-diphenyl-15λ3-ioda-35-azaundecacyclo[20.15.1.124,28.02,14.03,11.05,10.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2(14),3(11),5,7,9,12,16,18,20,22(38),23(36),24,26,28(39),29,31,33-octadecaene?

4,4-diphenyl-15λ3-ioda-35-azaundecacyclo[20.15.1.124,28.02,14.03,11.05,10.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2(14),3(11),5,7,9,12,16,18,20,22(38),23(36),24,26,28(39),29,31,33-octadecaene has a molecular weight of 757.67 g/mol, XLogP of 12.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4,4-diphenyl-15λ3-ioda-35-azaundecacyclo[20.15.1.124,28.02,14.03,11.05,10.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2(14),3(11),5,7,9,12,16,18,20,22(38),23(36),24,26,28(39),29,31,33-octadecaene is sourced from PubChem (CID 163424991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).