10-bromo-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-bromo-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene-5-carbonitrile;10-bromo-5-iodo-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;10-carbazol-9-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene-5-carbonitrile

C86H45Br3IN7 — CID 161475824

About 10-bromo-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-bromo-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene-5-carbonitrile;10-bromo-5-iodo-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;10-carbazol-9-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene-5-carbonitrile

10-bromo-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-bromo-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene-5-carbonitrile;10-bromo-5-iodo-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;10-carbazol-9-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene-5-carbonitrile (PubChem CID 161475824) has the molecular formula C86H45Br3IN7 and a molecular weight of 1542.97 g/mol. Its IUPAC name is 10-bromo-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-bromo-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene-5-carbonitrile;10-bromo-5-iodo-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;10-carbazol-9-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene-5-carbonitrile.

Molecular Properties

• Compound Name: 10-bromo-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-bromo-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene-5-carbonitrile;10-bromo-5-iodo-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;10-carbazol-9-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene-5-carbonitrile
• PubChem CID: 161475824
• Molecular Formula: C86H45Br3IN7
• Molecular Weight: 1542.97 g/mol
• Exact Mass: 1539.03
• IUPAC Name: 10-bromo-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-bromo-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene-5-carbonitrile;10-bromo-5-iodo-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;10-carbazol-9-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene-5-carbonitrile
• SMILES: Brc1cc2c3ccccc3n3c4ccc(I)cc4c(c1)c23.Brc1cc2c3ccccc3n3c4ccccc4c(c1)c23.N#Cc1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)cc3c4ccccc4n2c31.N#Cc1ccc2c(c1)c1cc(Br)cc3c4ccccc4n2c31
• InChI: InChI=1S/C31H17N3.C19H9BrN2.C18H9BrIN.C18H10BrN/c32-18-19-13-14-30-24(15-19)26-17-20(16-25-23-9-3-6-12-29(23)34(30)31(25)26)33-27-10-4-1-7-21(27)22-8-2-5-11-28(22)33;20-12-8-15-13-3-1-2-4-17(13)22-18-6-5-11(10-21)7-14(18)16(9-12)19(15)22;19-10-7-14-12-3-1-2-4-16(12)21-17-6-5-11(20)9-13(17)15(8-10)18(14)21;19-11-9-14-12-5-1-3-7-16(12)20-17-8-4-2-6-13(17)15(10-11)18(14)20/h1-17H;1-9H;1-9H;1-10H
• InChIKey: WDRSWBPRKWYKST-UHFFFAOYSA-N
• XLogP: 25.08
• TPSA: 70.15 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 1
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1542.97
LogP ≤ 5	25.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-bromo-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-bromo-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene-5-carbonitrile;10-bromo-5-iodo-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;10-carbazol-9-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene-5-carbonitrile?

The IUPAC name of 10-bromo-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-bromo-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene-5-carbonitrile;10-bromo-5-iodo-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;10-carbazol-9-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene-5-carbonitrile (CID 161475824) is 10-bromo-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-bromo-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene-5-carbonitrile;10-bromo-5-iodo-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;10-carbazol-9-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene-5-carbonitrile.

What is the SMILES notation for 10-bromo-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-bromo-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene-5-carbonitrile;10-bromo-5-iodo-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;10-carbazol-9-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene-5-carbonitrile?

The canonical SMILES for 10-bromo-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-bromo-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene-5-carbonitrile;10-bromo-5-iodo-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;10-carbazol-9-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene-5-carbonitrile is Brc1cc2c3ccccc3n3c4ccc(I)cc4c(c1)c23.Brc1cc2c3ccccc3n3c4ccccc4c(c1)c23.N#Cc1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)cc3c4ccccc4n2c31.N#Cc1ccc2c(c1)c1cc(Br)cc3c4ccccc4n2c31.

What is the InChIKey of 10-bromo-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-bromo-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene-5-carbonitrile;10-bromo-5-iodo-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;10-carbazol-9-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene-5-carbonitrile?

The InChIKey is WDRSWBPRKWYKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H17N3.C19H9BrN2.C18H9BrIN.C18H10BrN/c32-18-19-13-14-30-24(15-19)26-17-20(16-25-23-9-3-6-12-29(23)34(30)31(25)26)33-27-10-4-1-7-21(27)22-8-2-5-11-28(22)33;20-12-8-15-13-3-1-2-4-17(13)22-18-6-5-11(10-21)7-14(18)16(9-12)19(15)22;19-10-7-14-12-3-1-2-4-16(12)21-17-6-5-11(20)9-13(17)15(8-10)18(14)21;19-11-9-14-12-5-1-3-7-16(12)20-17-8-4-2-6-13(17)15(10-11)18(14)20/h1-17H;1-9H;1-9H;1-10H.

What are the key properties of 10-bromo-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-bromo-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene-5-carbonitrile;10-bromo-5-iodo-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;10-carbazol-9-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene-5-carbonitrile?

10-bromo-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-bromo-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene-5-carbonitrile;10-bromo-5-iodo-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;10-carbazol-9-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene-5-carbonitrile has a molecular weight of 1542.97 g/mol, XLogP of 25.08, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 10-bromo-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-bromo-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene-5-carbonitrile;10-bromo-5-iodo-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;10-carbazol-9-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene-5-carbonitrile is sourced from PubChem (CID 161475824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).