9,10-dibromoanthracene;3-(2,5-dimethylphenyl)-5-[10-[5-(2,6-dimethylphenyl)-3-pyridinyl]anthracen-9-yl]pyridine;3-(2,6-dimethylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C73H64BBr2N3O2 — CID 157477310

About 9,10-dibromoanthracene;3-(2,5-dimethylphenyl)-5-[10-[5-(2,6-dimethylphenyl)-3-pyridinyl]anthracen-9-yl]pyridine;3-(2,6-dimethylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

9,10-dibromoanthracene;3-(2,5-dimethylphenyl)-5-[10-[5-(2,6-dimethylphenyl)-3-pyridinyl]anthracen-9-yl]pyridine;3-(2,6-dimethylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (PubChem CID 157477310) has the molecular formula C73H64BBr2N3O2 and a molecular weight of 1185.95 g/mol. Its IUPAC name is 9,10-dibromoanthracene;3-(2,5-dimethylphenyl)-5-[10-[5-(2,6-dimethylphenyl)-3-pyridinyl]anthracen-9-yl]pyridine;3-(2,6-dimethylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

Molecular Properties

• Compound Name: 9,10-dibromoanthracene;3-(2,5-dimethylphenyl)-5-[10-[5-(2,6-dimethylphenyl)-3-pyridinyl]anthracen-9-yl]pyridine;3-(2,6-dimethylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• PubChem CID: 157477310
• Molecular Formula: C73H64BBr2N3O2
• Molecular Weight: 1185.95 g/mol
• Exact Mass: 1183.35
• IUPAC Name: 9,10-dibromoanthracene;3-(2,5-dimethylphenyl)-5-[10-[5-(2,6-dimethylphenyl)-3-pyridinyl]anthracen-9-yl]pyridine;3-(2,6-dimethylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• SMILES: Brc1c2ccccc2c(Br)c2ccccc12.Cc1ccc(C)c(-c2cncc(-c3c4ccccc4c(-c4cncc(-c5c(C)cccc5C)c4)c4ccccc34)c2)c1.Cc1cccc(C)c1-c1cncc(B2OC(C)(C)C(C)(C)O2)c1
• InChI: InChI=1S/C40H32N2.C19H24BNO2.C14H8Br2/c1-25-16-17-26(2)37(18-25)29-19-31(23-41-21-29)39-33-12-5-7-14-35(33)40(36-15-8-6-13-34(36)39)32-20-30(22-42-24-32)38-27(3)10-9-11-28(38)4;1-13-8-7-9-14(2)17(13)15-10-16(12-21-11-15)20-22-18(3,4)19(5,6)23-20;15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h5-24H,1-4H3;7-12H,1-6H3;1-8H
• InChIKey: BVTBYGZFLAVGKE-UHFFFAOYSA-N
• XLogP: 19.87
• TPSA: 57.13 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1185.95
LogP ≤ 5	19.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9,10-dibromoanthracene;3-(2,5-dimethylphenyl)-5-[10-[5-(2,6-dimethylphenyl)-3-pyridinyl]anthracen-9-yl]pyridine;3-(2,6-dimethylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

The IUPAC name of 9,10-dibromoanthracene;3-(2,5-dimethylphenyl)-5-[10-[5-(2,6-dimethylphenyl)-3-pyridinyl]anthracen-9-yl]pyridine;3-(2,6-dimethylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CID 157477310) is 9,10-dibromoanthracene;3-(2,5-dimethylphenyl)-5-[10-[5-(2,6-dimethylphenyl)-3-pyridinyl]anthracen-9-yl]pyridine;3-(2,6-dimethylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

What is the SMILES notation for 9,10-dibromoanthracene;3-(2,5-dimethylphenyl)-5-[10-[5-(2,6-dimethylphenyl)-3-pyridinyl]anthracen-9-yl]pyridine;3-(2,6-dimethylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

The canonical SMILES for 9,10-dibromoanthracene;3-(2,5-dimethylphenyl)-5-[10-[5-(2,6-dimethylphenyl)-3-pyridinyl]anthracen-9-yl]pyridine;3-(2,6-dimethylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is Brc1c2ccccc2c(Br)c2ccccc12.Cc1ccc(C)c(-c2cncc(-c3c4ccccc4c(-c4cncc(-c5c(C)cccc5C)c4)c4ccccc34)c2)c1.Cc1cccc(C)c1-c1cncc(B2OC(C)(C)C(C)(C)O2)c1.

What is the InChIKey of 9,10-dibromoanthracene;3-(2,5-dimethylphenyl)-5-[10-[5-(2,6-dimethylphenyl)-3-pyridinyl]anthracen-9-yl]pyridine;3-(2,6-dimethylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

The InChIKey is BVTBYGZFLAVGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H32N2.C19H24BNO2.C14H8Br2/c1-25-16-17-26(2)37(18-25)29-19-31(23-41-21-29)39-33-12-5-7-14-35(33)40(36-15-8-6-13-34(36)39)32-20-30(22-42-24-32)38-27(3)10-9-11-28(38)4;1-13-8-7-9-14(2)17(13)15-10-16(12-21-11-15)20-22-18(3,4)19(5,6)23-20;15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h5-24H,1-4H3;7-12H,1-6H3;1-8H.

What are the key properties of 9,10-dibromoanthracene;3-(2,5-dimethylphenyl)-5-[10-[5-(2,6-dimethylphenyl)-3-pyridinyl]anthracen-9-yl]pyridine;3-(2,6-dimethylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

9,10-dibromoanthracene;3-(2,5-dimethylphenyl)-5-[10-[5-(2,6-dimethylphenyl)-3-pyridinyl]anthracen-9-yl]pyridine;3-(2,6-dimethylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine has a molecular weight of 1185.95 g/mol, XLogP of 19.87, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9,10-dibromoanthracene;3-(2,5-dimethylphenyl)-5-[10-[5-(2,6-dimethylphenyl)-3-pyridinyl]anthracen-9-yl]pyridine;3-(2,6-dimethylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is sourced from PubChem (CID 157477310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).