2-(3-bromobenzene-6-id-1-yl)pyridine;13,13-dimethyl-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;13,13-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;platinum

C70H58BBrN4O2Pt2-2 — CID 158232386

About 2-(3-bromobenzene-6-id-1-yl)pyridine;13,13-dimethyl-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;13,13-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;platinum

2-(3-bromobenzene-6-id-1-yl)pyridine;13,13-dimethyl-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;13,13-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;platinum (PubChem CID 158232386) has the molecular formula C70H58BBrN4O2Pt2-2 and a molecular weight of 1468.13 g/mol. Its IUPAC name is 2-(3-bromobenzene-6-id-1-yl)pyridine;13,13-dimethyl-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;13,13-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;platinum.

Molecular Properties

• Compound Name: 2-(3-bromobenzene-6-id-1-yl)pyridine;13,13-dimethyl-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;13,13-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;platinum
• PubChem CID: 158232386
• Molecular Formula: C70H58BBrN4O2Pt2-2
• Molecular Weight: 1468.13 g/mol
• Exact Mass: 1466.31
• IUPAC Name: 2-(3-bromobenzene-6-id-1-yl)pyridine;13,13-dimethyl-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;13,13-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;platinum
• SMILES: Brc1cc[c-]c(-c2ccccn2)c1.CC1(C)c2ccccc2-n2c3ccc(-c4cc[c-]c(-c5ccccn5)c4)cc3c3cccc1c32.CC1(C)c2ccccc2-n2c3ccc(B4OC(C)(C)C(C)(C)O4)cc3c3cccc1c32.[Pt].[Pt]
• InChI: InChI=1S/C32H23N2.C27H28BNO2.C11H7BrN.2Pt/c1-32(2)26-12-3-4-15-30(26)34-29-17-16-22(20-25(29)24-11-8-13-27(32)31(24)34)21-9-7-10-23(19-21)28-14-5-6-18-33-28;1-25(2)20-11-7-8-13-23(20)29-22-15-14-17(28-30-26(3,4)27(5,6)31-28)16-19(22)18-10-9-12-21(25)24(18)29;12-10-5-3-4-9(8-10)11-6-1-2-7-13-11;;/h3-9,11-20H,1-2H3;7-16H,1-6H3;1-3,5-8H;;/q-1;;-1
• InChIKey: JWYFNXJYPZLJBX-UHFFFAOYSA-N
• XLogP: 16.98
• TPSA: 54.10 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1468.13
LogP ≤ 5	16.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromobenzene-6-id-1-yl)pyridine;13,13-dimethyl-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;13,13-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;platinum?

The IUPAC name of 2-(3-bromobenzene-6-id-1-yl)pyridine;13,13-dimethyl-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;13,13-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;platinum (CID 158232386) is 2-(3-bromobenzene-6-id-1-yl)pyridine;13,13-dimethyl-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;13,13-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;platinum.

What is the SMILES notation for 2-(3-bromobenzene-6-id-1-yl)pyridine;13,13-dimethyl-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;13,13-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;platinum?

The canonical SMILES for 2-(3-bromobenzene-6-id-1-yl)pyridine;13,13-dimethyl-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;13,13-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;platinum is Brc1cc[c-]c(-c2ccccn2)c1.CC1(C)c2ccccc2-n2c3ccc(-c4cc[c-]c(-c5ccccn5)c4)cc3c3cccc1c32.CC1(C)c2ccccc2-n2c3ccc(B4OC(C)(C)C(C)(C)O4)cc3c3cccc1c32.[Pt].[Pt].

What is the InChIKey of 2-(3-bromobenzene-6-id-1-yl)pyridine;13,13-dimethyl-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;13,13-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;platinum?

The InChIKey is JWYFNXJYPZLJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23N2.C27H28BNO2.C11H7BrN.2Pt/c1-32(2)26-12-3-4-15-30(26)34-29-17-16-22(20-25(29)24-11-8-13-27(32)31(24)34)21-9-7-10-23(19-21)28-14-5-6-18-33-28;1-25(2)20-11-7-8-13-23(20)29-22-15-14-17(28-30-26(3,4)27(5,6)31-28)16-19(22)18-10-9-12-21(25)24(18)29;12-10-5-3-4-9(8-10)11-6-1-2-7-13-11;;/h3-9,11-20H,1-2H3;7-16H,1-6H3;1-3,5-8H;;/q-1;;-1;;.

What are the key properties of 2-(3-bromobenzene-6-id-1-yl)pyridine;13,13-dimethyl-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;13,13-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;platinum?

2-(3-bromobenzene-6-id-1-yl)pyridine;13,13-dimethyl-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;13,13-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;platinum has a molecular weight of 1468.13 g/mol, XLogP of 16.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-bromobenzene-6-id-1-yl)pyridine;13,13-dimethyl-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;13,13-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;platinum is sourced from PubChem (CID 158232386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).