8-(3-bromo-5-pyridin-2-ylphenyl)-10-phenyl-3,8,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene;2-(3,5-dibromophenyl)pyridine;14,24-diphenyl-19-pyridin-2-yl-5,14,16,22,24-pentaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.08,13.017,37.023,31.025,30.016,39.036,38]nonatriaconta-2(39),3,5,7(15),8,10,12,17,19,21(37),23(31),25,27,29,32,34,36(38)-heptadecaene;10-phenyl-3,10-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene;5-phenyl-6H-indeno[2,1-b]indole;10-phenyl-8-[3-(6-phenyl-5a,10b-dihydroindolo[2,3-b]indol-5-yl)-5-pyridin-2-ylphenyl]-3,8,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene

C182H118BBr3N20 — CID 158956469

About 8-(3-bromo-5-pyridin-2-ylphenyl)-10-phenyl-3,8,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene;2-(3,5-dibromophenyl)pyridine;14,24-diphenyl-19-pyridin-2-yl-5,14,16,22,24-pentaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.08,13.017,37.023,31.025,30.016,39.036,38]nonatriaconta-2(39),3,5,7(15),8,10,12,17,19,21(37),23(31),25,27,29,32,34,36(38)-heptadecaene;10-phenyl-3,10-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene;5-phenyl-6H-indeno[2,1-b]indole;10-phenyl-8-[3-(6-phenyl-5a,10b-dihydroindolo[2,3-b]indol-5-yl)-5-pyridin-2-ylphenyl]-3,8,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene

8-(3-bromo-5-pyridin-2-ylphenyl)-10-phenyl-3,8,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene;2-(3,5-dibromophenyl)pyridine;14,24-diphenyl-19-pyridin-2-yl-5,14,16,22,24-pentaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.08,13.017,37.023,31.025,30.016,39.036,38]nonatriaconta-2(39),3,5,7(15),8,10,12,17,19,21(37),23(31),25,27,29,32,34,36(38)-heptadecaene;10-phenyl-3,10-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene;5-phenyl-6H-indeno[2,1-b]indole;10-phenyl-8-[3-(6-phenyl-5a,10b-dihydroindolo[2,3-b]indol-5-yl)-5-pyridin-2-ylphenyl]-3,8,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene (PubChem CID 158956469) has the molecular formula C182H118BBr3N20 and a molecular weight of 2835.61 g/mol. Its IUPAC name is 8-(3-bromo-5-pyridin-2-ylphenyl)-10-phenyl-3,8,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene;2-(3,5-dibromophenyl)pyridine;14,24-diphenyl-19-pyridin-2-yl-5,14,16,22,24-pentaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.08,13.017,37.023,31.025,30.016,39.036,38]nonatriaconta-2(39),3,5,7(15),8,10,12,17,19,21(37),23(31),25,27,29,32,34,36(38)-heptadecaene;10-phenyl-3,10-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene;5-phenyl-6H-indeno[2,1-b]indole;10-phenyl-8-[3-(6-phenyl-5a,10b-dihydroindolo[2,3-b]indol-5-yl)-5-pyridin-2-ylphenyl]-3,8,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene.

Molecular Properties

• Compound Name: 8-(3-bromo-5-pyridin-2-ylphenyl)-10-phenyl-3,8,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene;2-(3,5-dibromophenyl)pyridine;14,24-diphenyl-19-pyridin-2-yl-5,14,16,22,24-pentaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.08,13.017,37.023,31.025,30.016,39.036,38]nonatriaconta-2(39),3,5,7(15),8,10,12,17,19,21(37),23(31),25,27,29,32,34,36(38)-heptadecaene;10-phenyl-3,10-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene;5-phenyl-6H-indeno[2,1-b]indole;10-phenyl-8-[3-(6-phenyl-5a,10b-dihydroindolo[2,3-b]indol-5-yl)-5-pyridin-2-ylphenyl]-3,8,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene
• PubChem CID: 158956469
• Molecular Formula: C182H118BBr3N20
• Molecular Weight: 2835.61 g/mol
• Exact Mass: 2830.75
• IUPAC Name: 8-(3-bromo-5-pyridin-2-ylphenyl)-10-phenyl-3,8,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene;2-(3,5-dibromophenyl)pyridine;14,24-diphenyl-19-pyridin-2-yl-5,14,16,22,24-pentaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.08,13.017,37.023,31.025,30.016,39.036,38]nonatriaconta-2(39),3,5,7(15),8,10,12,17,19,21(37),23(31),25,27,29,32,34,36(38)-heptadecaene;10-phenyl-3,10-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene;5-phenyl-6H-indeno[2,1-b]indole;10-phenyl-8-[3-(6-phenyl-5a,10b-dihydroindolo[2,3-b]indol-5-yl)-5-pyridin-2-ylphenyl]-3,8,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene
• SMILES: Brc1cc(-c2ccccn2)cc(-n2c3cccnc3c3c4ccccc4n(-c4ccccc4)c32)c1.Brc1cc(Br)cc(-c2ccccn2)c1.c1ccc(-n2c3c(c4ccccc42)-c2ccccc2C3)cc1.c1ccc(-n2c3c(c4ccccc42)-c2ncccc2C3)cc1.c1ccc(-n2c3ccccc3c3c4cccc5c4n(c32)-c2cc(-c3ccccn3)cc3c2B5c2ccnc4c5c6ccccc6n(-c6ccccc6)c5n-3c24)cc1.c1ccc(N2c3ccccc3C3c4ccccc4N(c4cc(-c5ccccn5)cc(-n5c6cccnc6c6c7ccccc7n(-c7ccccc7)c65)c4)C32)cc1
• InChI: InChI=1S/C50H29BN6.C50H34N6.C30H19BrN4.C21H15N.C20H14N2.C11H7Br2N/c1-3-14-31(15-4-1)54-39-23-9-7-18-33(39)43-35-20-13-21-36-47(35)56(49(43)54)41-28-30(38-22-11-12-26-52-38)29-42-45(41)51(36)37-25-27-53-46-44-34-19-8-10-24-40(34)55(32-16-5-2-6-17-32)50(44)57(42)48(37)46;1-3-16-34(17-4-1)53-42-24-10-7-20-38(42)46-39-21-8-11-25-43(39)55(49(46)53)36-30-33(41-23-13-14-28-51-41)31-37(32-36)56-45-27-15-29-52-48(45)47-40-22-9-12-26-44(40)54(50(47)56)35-18-5-2-6-19-35;31-21-17-20(25-12-6-7-15-32-25)18-23(19-21)35-27-14-8-16-33-29(27)28-24-11-4-5-13-26(24)34(30(28)35)22-9-2-1-3-10-22;1-2-9-16(10-3-1)22-19-13-7-6-12-18(19)21-17-11-5-4-8-15(17)14-20(21)22;1-2-8-15(9-3-1)22-17-11-5-4-10-16(17)19-18(22)13-14-7-6-12-21-20(14)19;12-9-5-8(6-10(13)7-9)11-3-1-2-4-14-11/h1-29H;1-32,46,49H;1-19H;1-13H,14H2;1-12H,13H2;1-7H
• InChIKey: JMBIQFYPTNBQMA-UHFFFAOYSA-N
• XLogP: 43.33
• TPSA: 158.90 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 14
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2835.61
LogP ≤ 5	43.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-(3-bromo-5-pyridin-2-ylphenyl)-10-phenyl-3,8,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene;2-(3,5-dibromophenyl)pyridine;14,24-diphenyl-19-pyridin-2-yl-5,14,16,22,24-pentaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.08,13.017,37.023,31.025,30.016,39.036,38]nonatriaconta-2(39),3,5,7(15),8,10,12,17,19,21(37),23(31),25,27,29,32,34,36(38)-heptadecaene;10-phenyl-3,10-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene;5-phenyl-6H-indeno[2,1-b]indole;10-phenyl-8-[3-(6-phenyl-5a,10b-dihydroindolo[2,3-b]indol-5-yl)-5-pyridin-2-ylphenyl]-3,8,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene?

The IUPAC name of 8-(3-bromo-5-pyridin-2-ylphenyl)-10-phenyl-3,8,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene;2-(3,5-dibromophenyl)pyridine;14,24-diphenyl-19-pyridin-2-yl-5,14,16,22,24-pentaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.08,13.017,37.023,31.025,30.016,39.036,38]nonatriaconta-2(39),3,5,7(15),8,10,12,17,19,21(37),23(31),25,27,29,32,34,36(38)-heptadecaene;10-phenyl-3,10-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene;5-phenyl-6H-indeno[2,1-b]indole;10-phenyl-8-[3-(6-phenyl-5a,10b-dihydroindolo[2,3-b]indol-5-yl)-5-pyridin-2-ylphenyl]-3,8,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene (CID 158956469) is 8-(3-bromo-5-pyridin-2-ylphenyl)-10-phenyl-3,8,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene;2-(3,5-dibromophenyl)pyridine;14,24-diphenyl-19-pyridin-2-yl-5,14,16,22,24-pentaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.08,13.017,37.023,31.025,30.016,39.036,38]nonatriaconta-2(39),3,5,7(15),8,10,12,17,19,21(37),23(31),25,27,29,32,34,36(38)-heptadecaene;10-phenyl-3,10-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene;5-phenyl-6H-indeno[2,1-b]indole;10-phenyl-8-[3-(6-phenyl-5a,10b-dihydroindolo[2,3-b]indol-5-yl)-5-pyridin-2-ylphenyl]-3,8,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene.

What is the SMILES notation for 8-(3-bromo-5-pyridin-2-ylphenyl)-10-phenyl-3,8,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene;2-(3,5-dibromophenyl)pyridine;14,24-diphenyl-19-pyridin-2-yl-5,14,16,22,24-pentaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.08,13.017,37.023,31.025,30.016,39.036,38]nonatriaconta-2(39),3,5,7(15),8,10,12,17,19,21(37),23(31),25,27,29,32,34,36(38)-heptadecaene;10-phenyl-3,10-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene;5-phenyl-6H-indeno[2,1-b]indole;10-phenyl-8-[3-(6-phenyl-5a,10b-dihydroindolo[2,3-b]indol-5-yl)-5-pyridin-2-ylphenyl]-3,8,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene?

The canonical SMILES for 8-(3-bromo-5-pyridin-2-ylphenyl)-10-phenyl-3,8,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene;2-(3,5-dibromophenyl)pyridine;14,24-diphenyl-19-pyridin-2-yl-5,14,16,22,24-pentaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.08,13.017,37.023,31.025,30.016,39.036,38]nonatriaconta-2(39),3,5,7(15),8,10,12,17,19,21(37),23(31),25,27,29,32,34,36(38)-heptadecaene;10-phenyl-3,10-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene;5-phenyl-6H-indeno[2,1-b]indole;10-phenyl-8-[3-(6-phenyl-5a,10b-dihydroindolo[2,3-b]indol-5-yl)-5-pyridin-2-ylphenyl]-3,8,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene is Brc1cc(-c2ccccn2)cc(-n2c3cccnc3c3c4ccccc4n(-c4ccccc4)c32)c1.Brc1cc(Br)cc(-c2ccccn2)c1.c1ccc(-n2c3c(c4ccccc42)-c2ccccc2C3)cc1.c1ccc(-n2c3c(c4ccccc42)-c2ncccc2C3)cc1.c1ccc(-n2c3ccccc3c3c4cccc5c4n(c32)-c2cc(-c3ccccn3)cc3c2B5c2ccnc4c5c6ccccc6n(-c6ccccc6)c5n-3c24)cc1.c1ccc(N2c3ccccc3C3c4ccccc4N(c4cc(-c5ccccn5)cc(-n5c6cccnc6c6c7ccccc7n(-c7ccccc7)c65)c4)C32)cc1.

What is the InChIKey of 8-(3-bromo-5-pyridin-2-ylphenyl)-10-phenyl-3,8,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene;2-(3,5-dibromophenyl)pyridine;14,24-diphenyl-19-pyridin-2-yl-5,14,16,22,24-pentaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.08,13.017,37.023,31.025,30.016,39.036,38]nonatriaconta-2(39),3,5,7(15),8,10,12,17,19,21(37),23(31),25,27,29,32,34,36(38)-heptadecaene;10-phenyl-3,10-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene;5-phenyl-6H-indeno[2,1-b]indole;10-phenyl-8-[3-(6-phenyl-5a,10b-dihydroindolo[2,3-b]indol-5-yl)-5-pyridin-2-ylphenyl]-3,8,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene?

The InChIKey is JMBIQFYPTNBQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29BN6.C50H34N6.C30H19BrN4.C21H15N.C20H14N2.C11H7Br2N/c1-3-14-31(15-4-1)54-39-23-9-7-18-33(39)43-35-20-13-21-36-47(35)56(49(43)54)41-28-30(38-22-11-12-26-52-38)29-42-45(41)51(36)37-25-27-53-46-44-34-19-8-10-24-40(34)55(32-16-5-2-6-17-32)50(44)57(42)48(37)46;1-3-16-34(17-4-1)53-42-24-10-7-20-38(42)46-39-21-8-11-25-43(39)55(49(46)53)36-30-33(41-23-13-14-28-51-41)31-37(32-36)56-45-27-15-29-52-48(45)47-40-22-9-12-26-44(40)54(50(47)56)35-18-5-2-6-19-35;31-21-17-20(25-12-6-7-15-32-25)18-23(19-21)35-27-14-8-16-33-29(27)28-24-11-4-5-13-26(24)34(30(28)35)22-9-2-1-3-10-22;1-2-9-16(10-3-1)22-19-13-7-6-12-18(19)21-17-11-5-4-8-15(17)14-20(21)22;1-2-8-15(9-3-1)22-17-11-5-4-10-16(17)19-18(22)13-14-7-6-12-21-20(14)19;12-9-5-8(6-10(13)7-9)11-3-1-2-4-14-11/h1-29H;1-32,46,49H;1-19H;1-13H,14H2;1-12H,13H2;1-7H.

What are the key properties of 8-(3-bromo-5-pyridin-2-ylphenyl)-10-phenyl-3,8,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene;2-(3,5-dibromophenyl)pyridine;14,24-diphenyl-19-pyridin-2-yl-5,14,16,22,24-pentaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.08,13.017,37.023,31.025,30.016,39.036,38]nonatriaconta-2(39),3,5,7(15),8,10,12,17,19,21(37),23(31),25,27,29,32,34,36(38)-heptadecaene;10-phenyl-3,10-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene;5-phenyl-6H-indeno[2,1-b]indole;10-phenyl-8-[3-(6-phenyl-5a,10b-dihydroindolo[2,3-b]indol-5-yl)-5-pyridin-2-ylphenyl]-3,8,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene?

8-(3-bromo-5-pyridin-2-ylphenyl)-10-phenyl-3,8,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene;2-(3,5-dibromophenyl)pyridine;14,24-diphenyl-19-pyridin-2-yl-5,14,16,22,24-pentaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.08,13.017,37.023,31.025,30.016,39.036,38]nonatriaconta-2(39),3,5,7(15),8,10,12,17,19,21(37),23(31),25,27,29,32,34,36(38)-heptadecaene;10-phenyl-3,10-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene;5-phenyl-6H-indeno[2,1-b]indole;10-phenyl-8-[3-(6-phenyl-5a,10b-dihydroindolo[2,3-b]indol-5-yl)-5-pyridin-2-ylphenyl]-3,8,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene has a molecular weight of 2835.61 g/mol, XLogP of 43.33, 14 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(3-bromo-5-pyridin-2-ylphenyl)-10-phenyl-3,8,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene;2-(3,5-dibromophenyl)pyridine;14,24-diphenyl-19-pyridin-2-yl-5,14,16,22,24-pentaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.08,13.017,37.023,31.025,30.016,39.036,38]nonatriaconta-2(39),3,5,7(15),8,10,12,17,19,21(37),23(31),25,27,29,32,34,36(38)-heptadecaene;10-phenyl-3,10-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene;5-phenyl-6H-indeno[2,1-b]indole;10-phenyl-8-[3-(6-phenyl-5a,10b-dihydroindolo[2,3-b]indol-5-yl)-5-pyridin-2-ylphenyl]-3,8,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene is sourced from PubChem (CID 158956469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).