5-bromo-4-(5-bromo-10,15-ditert-butyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13(18),14,16-nonaen-4-yl)-10,15-ditert-butyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13(18),14,16-nonaene

C52H50Br2N2 — CID 147528349

About 5-bromo-4-(5-bromo-10,15-ditert-butyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13(18),14,16-nonaen-4-yl)-10,15-ditert-butyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13(18),14,16-nonaene

5-bromo-4-(5-bromo-10,15-ditert-butyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13(18),14,16-nonaen-4-yl)-10,15-ditert-butyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13(18),14,16-nonaene (PubChem CID 147528349) has the molecular formula C52H50Br2N2 and a molecular weight of 862.79 g/mol. Its IUPAC name is 5-bromo-4-(5-bromo-10,15-ditert-butyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13(18),14,16-nonaen-4-yl)-10,15-ditert-butyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13(18),14,16-nonaene.

Molecular Properties

• Compound Name: 5-bromo-4-(5-bromo-10,15-ditert-butyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13(18),14,16-nonaen-4-yl)-10,15-ditert-butyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13(18),14,16-nonaene
• PubChem CID: 147528349
• Molecular Formula: C52H50Br2N2
• Molecular Weight: 862.79 g/mol
• Exact Mass: 860.23
• IUPAC Name: 5-bromo-4-(5-bromo-10,15-ditert-butyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13(18),14,16-nonaen-4-yl)-10,15-ditert-butyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13(18),14,16-nonaene
• SMILES: CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)cc3c4cc(Br)c(-c5cc6c(cc5Br)c5cc(C(C)(C)C)cc7c8cc(C(C)(C)C)ccc8n6c75)cc4n2c13
• InChI: InChI=1S/C52H50Br2N2/c1-49(2,3)27-13-15-43-33(17-27)37-19-29(51(7,8)9)21-39-35-23-41(53)31(25-45(35)55(43)47(37)39)32-26-46-36(24-42(32)54)40-22-30(52(10,11)12)20-38-34-18-28(50(4,5)6)14-16-44(34)56(46)48(38)40/h13-26H,1-12H3
• InChIKey: FMNLWUXLQDRFRH-UHFFFAOYSA-N
• XLogP: 16.37
• TPSA: 8.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	862.79
LogP ≤ 5	16.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(5-bromo-10,15-ditert-butyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13(18),14,16-nonaen-4-yl)-10,15-ditert-butyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13(18),14,16-nonaene?

The IUPAC name of 5-bromo-4-(5-bromo-10,15-ditert-butyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13(18),14,16-nonaen-4-yl)-10,15-ditert-butyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13(18),14,16-nonaene (CID 147528349) is 5-bromo-4-(5-bromo-10,15-ditert-butyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13(18),14,16-nonaen-4-yl)-10,15-ditert-butyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13(18),14,16-nonaene.

What is the SMILES notation for 5-bromo-4-(5-bromo-10,15-ditert-butyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13(18),14,16-nonaen-4-yl)-10,15-ditert-butyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13(18),14,16-nonaene?

The canonical SMILES for 5-bromo-4-(5-bromo-10,15-ditert-butyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13(18),14,16-nonaen-4-yl)-10,15-ditert-butyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13(18),14,16-nonaene is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)cc3c4cc(Br)c(-c5cc6c(cc5Br)c5cc(C(C)(C)C)cc7c8cc(C(C)(C)C)ccc8n6c75)cc4n2c13.

What is the InChIKey of 5-bromo-4-(5-bromo-10,15-ditert-butyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13(18),14,16-nonaen-4-yl)-10,15-ditert-butyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13(18),14,16-nonaene?

The InChIKey is FMNLWUXLQDRFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H50Br2N2/c1-49(2,3)27-13-15-43-33(17-27)37-19-29(51(7,8)9)21-39-35-23-41(53)31(25-45(35)55(43)47(37)39)32-26-46-36(24-42(32)54)40-22-30(52(10,11)12)20-38-34-18-28(50(4,5)6)14-16-44(34)56(46)48(38)40/h13-26H,1-12H3.

What are the key properties of 5-bromo-4-(5-bromo-10,15-ditert-butyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13(18),14,16-nonaen-4-yl)-10,15-ditert-butyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13(18),14,16-nonaene?

5-bromo-4-(5-bromo-10,15-ditert-butyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13(18),14,16-nonaen-4-yl)-10,15-ditert-butyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13(18),14,16-nonaene has a molecular weight of 862.79 g/mol, XLogP of 16.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-4-(5-bromo-10,15-ditert-butyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13(18),14,16-nonaen-4-yl)-10,15-ditert-butyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13(18),14,16-nonaene is sourced from PubChem (CID 147528349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).