1,5-dibromonaphthalene;8,8,14,14-tetramethyl-11-[5-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)naphthalen-1-yl]-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene

C98H84BBr2N3O2 — CID 158869724

About 1,5-dibromonaphthalene;8,8,14,14-tetramethyl-11-[5-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)naphthalen-1-yl]-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene

1,5-dibromonaphthalene;8,8,14,14-tetramethyl-11-[5-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)naphthalen-1-yl]-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene (PubChem CID 158869724) has the molecular formula C98H84BBr2N3O2 and a molecular weight of 1506.39 g/mol. Its IUPAC name is 1,5-dibromonaphthalene;8,8,14,14-tetramethyl-11-[5-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)naphthalen-1-yl]-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene.

Molecular Properties

• Compound Name: 1,5-dibromonaphthalene;8,8,14,14-tetramethyl-11-[5-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)naphthalen-1-yl]-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
• PubChem CID: 158869724
• Molecular Formula: C98H84BBr2N3O2
• Molecular Weight: 1506.39 g/mol
• Exact Mass: 1503.50
• IUPAC Name: 1,5-dibromonaphthalene;8,8,14,14-tetramethyl-11-[5-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)naphthalen-1-yl]-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
• SMILES: Brc1cccc2c(Br)cccc12.CC1(C)c2cc(-c3cccc4c(-c5cc6c7c(c5)C(C)(C)c5cccc8c9cccc(c9n-7c58)C6(C)C)cccc34)cc3c2-n2c4c1cccc4c1cccc(c12)C3(C)C.CC1(C)c2cc(B3OC(C)(C)C(C)(C)O3)cc3c2-n2c4c1cccc4c1cccc(c12)C3(C)C
• InChI: InChI=1S/C58H46N2.C30H32BNO2.C10H6Br2/c1-55(2)41-23-11-19-37-38-20-12-24-42-50(38)59(49(37)41)53-45(55)27-31(28-46(53)56(42,3)4)33-15-9-18-36-34(16-10-17-35(33)36)32-29-47-54-48(30-32)58(7,8)44-26-14-22-40-39-21-13-25-43(57(47,5)6)51(39)60(54)52(40)44;1-27(2)20-13-9-11-18-19-12-10-14-21-25(19)32(24(18)20)26-22(27)15-17(16-23(26)28(21,3)4)31-33-29(5,6)30(7,8)34-31;11-9-5-1-3-7-8(9)4-2-6-10(7)12/h9-30H,1-8H3;9-16H,1-8H3;1-6H
• InChIKey: JBRQIUKCPOHJIC-UHFFFAOYSA-N
• XLogP: 25.65
• TPSA: 33.25 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1506.39
LogP ≤ 5	25.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,5-dibromonaphthalene;8,8,14,14-tetramethyl-11-[5-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)naphthalen-1-yl]-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?

The IUPAC name of 1,5-dibromonaphthalene;8,8,14,14-tetramethyl-11-[5-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)naphthalen-1-yl]-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene (CID 158869724) is 1,5-dibromonaphthalene;8,8,14,14-tetramethyl-11-[5-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)naphthalen-1-yl]-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene.

What is the SMILES notation for 1,5-dibromonaphthalene;8,8,14,14-tetramethyl-11-[5-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)naphthalen-1-yl]-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?

The canonical SMILES for 1,5-dibromonaphthalene;8,8,14,14-tetramethyl-11-[5-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)naphthalen-1-yl]-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene is Brc1cccc2c(Br)cccc12.CC1(C)c2cc(-c3cccc4c(-c5cc6c7c(c5)C(C)(C)c5cccc8c9cccc(c9n-7c58)C6(C)C)cccc34)cc3c2-n2c4c1cccc4c1cccc(c12)C3(C)C.CC1(C)c2cc(B3OC(C)(C)C(C)(C)O3)cc3c2-n2c4c1cccc4c1cccc(c12)C3(C)C.

What is the InChIKey of 1,5-dibromonaphthalene;8,8,14,14-tetramethyl-11-[5-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)naphthalen-1-yl]-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?

The InChIKey is JBRQIUKCPOHJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H46N2.C30H32BNO2.C10H6Br2/c1-55(2)41-23-11-19-37-38-20-12-24-42-50(38)59(49(37)41)53-45(55)27-31(28-46(53)56(42,3)4)33-15-9-18-36-34(16-10-17-35(33)36)32-29-47-54-48(30-32)58(7,8)44-26-14-22-40-39-21-13-25-43(57(47,5)6)51(39)60(54)52(40)44;1-27(2)20-13-9-11-18-19-12-10-14-21-25(19)32(24(18)20)26-22(27)15-17(16-23(26)28(21,3)4)31-33-29(5,6)30(7,8)34-31;11-9-5-1-3-7-8(9)4-2-6-10(7)12/h9-30H,1-8H3;9-16H,1-8H3;1-6H.

What are the key properties of 1,5-dibromonaphthalene;8,8,14,14-tetramethyl-11-[5-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)naphthalen-1-yl]-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?

1,5-dibromonaphthalene;8,8,14,14-tetramethyl-11-[5-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)naphthalen-1-yl]-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene has a molecular weight of 1506.39 g/mol, XLogP of 25.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1,5-dibromonaphthalene;8,8,14,14-tetramethyl-11-[5-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)naphthalen-1-yl]-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene is sourced from PubChem (CID 158869724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).