2-[10-(6-bromoquinolin-2-yl)anthracen-9-yl]-1,10-phenanthroline;2-[10-[6-(2-phenylquinolin-6-yl)quinolin-2-yl]anthracen-9-yl]-1,10-phenanthroline;2-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline

C106H72BBrN8O2 — CID 158055516

About 2-[10-(6-bromoquinolin-2-yl)anthracen-9-yl]-1,10-phenanthroline;2-[10-[6-(2-phenylquinolin-6-yl)quinolin-2-yl]anthracen-9-yl]-1,10-phenanthroline;2-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline

2-[10-(6-bromoquinolin-2-yl)anthracen-9-yl]-1,10-phenanthroline;2-[10-[6-(2-phenylquinolin-6-yl)quinolin-2-yl]anthracen-9-yl]-1,10-phenanthroline;2-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline (PubChem CID 158055516) has the molecular formula C106H72BBrN8O2 and a molecular weight of 1580.51 g/mol. Its IUPAC name is 2-[10-(6-bromoquinolin-2-yl)anthracen-9-yl]-1,10-phenanthroline;2-[10-[6-(2-phenylquinolin-6-yl)quinolin-2-yl]anthracen-9-yl]-1,10-phenanthroline;2-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline.

Molecular Properties

• Compound Name: 2-[10-(6-bromoquinolin-2-yl)anthracen-9-yl]-1,10-phenanthroline;2-[10-[6-(2-phenylquinolin-6-yl)quinolin-2-yl]anthracen-9-yl]-1,10-phenanthroline;2-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
• PubChem CID: 158055516
• Molecular Formula: C106H72BBrN8O2
• Molecular Weight: 1580.51 g/mol
• Exact Mass: 1578.51
• IUPAC Name: 2-[10-(6-bromoquinolin-2-yl)anthracen-9-yl]-1,10-phenanthroline;2-[10-[6-(2-phenylquinolin-6-yl)quinolin-2-yl]anthracen-9-yl]-1,10-phenanthroline;2-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
• SMILES: Brc1ccc2nc(-c3c4ccccc4c(-c4ccc5ccc6cccnc6c5n4)c4ccccc34)ccc2c1.CC1(C)OB(c2ccc3nc(-c4ccccc4)ccc3c2)OC1(C)C.c1ccc(-c2ccc3cc(-c4ccc5nc(-c6c7ccccc7c(-c7ccc8ccc9cccnc9c8n7)c7ccccc67)ccc5c4)ccc3n2)cc1
• InChI: InChI=1S/C50H30N4.C35H20BrN3.C21H22BNO2/c1-2-9-31(10-3-1)42-25-21-36-29-34(19-23-43(36)52-42)35-20-24-44-37(30-35)22-27-45(53-44)47-38-12-4-6-14-40(38)48(41-15-7-5-13-39(41)47)46-26-18-33-17-16-32-11-8-28-51-49(32)50(33)54-46;36-24-15-18-29-23(20-24)14-17-30(38-29)32-25-7-1-3-9-27(25)33(28-10-4-2-8-26(28)32)31-16-13-22-12-11-21-6-5-19-37-34(21)35(22)39-31;1-20(2)21(3,4)25-22(24-20)17-11-13-19-16(14-17)10-12-18(23-19)15-8-6-5-7-9-15/h1-30H;1-20H;5-14H,1-4H3
• InChIKey: FJZRARLSDAECKJ-UHFFFAOYSA-N
• XLogP: 26.79
• TPSA: 121.58 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1580.51
LogP ≤ 5	26.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[10-(6-bromoquinolin-2-yl)anthracen-9-yl]-1,10-phenanthroline;2-[10-[6-(2-phenylquinolin-6-yl)quinolin-2-yl]anthracen-9-yl]-1,10-phenanthroline;2-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline?

The IUPAC name of 2-[10-(6-bromoquinolin-2-yl)anthracen-9-yl]-1,10-phenanthroline;2-[10-[6-(2-phenylquinolin-6-yl)quinolin-2-yl]anthracen-9-yl]-1,10-phenanthroline;2-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline (CID 158055516) is 2-[10-(6-bromoquinolin-2-yl)anthracen-9-yl]-1,10-phenanthroline;2-[10-[6-(2-phenylquinolin-6-yl)quinolin-2-yl]anthracen-9-yl]-1,10-phenanthroline;2-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline.

What is the SMILES notation for 2-[10-(6-bromoquinolin-2-yl)anthracen-9-yl]-1,10-phenanthroline;2-[10-[6-(2-phenylquinolin-6-yl)quinolin-2-yl]anthracen-9-yl]-1,10-phenanthroline;2-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline?

The canonical SMILES for 2-[10-(6-bromoquinolin-2-yl)anthracen-9-yl]-1,10-phenanthroline;2-[10-[6-(2-phenylquinolin-6-yl)quinolin-2-yl]anthracen-9-yl]-1,10-phenanthroline;2-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline is Brc1ccc2nc(-c3c4ccccc4c(-c4ccc5ccc6cccnc6c5n4)c4ccccc34)ccc2c1.CC1(C)OB(c2ccc3nc(-c4ccccc4)ccc3c2)OC1(C)C.c1ccc(-c2ccc3cc(-c4ccc5nc(-c6c7ccccc7c(-c7ccc8ccc9cccnc9c8n7)c7ccccc67)ccc5c4)ccc3n2)cc1.

What is the InChIKey of 2-[10-(6-bromoquinolin-2-yl)anthracen-9-yl]-1,10-phenanthroline;2-[10-[6-(2-phenylquinolin-6-yl)quinolin-2-yl]anthracen-9-yl]-1,10-phenanthroline;2-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline?

The InChIKey is FJZRARLSDAECKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4.C35H20BrN3.C21H22BNO2/c1-2-9-31(10-3-1)42-25-21-36-29-34(19-23-43(36)52-42)35-20-24-44-37(30-35)22-27-45(53-44)47-38-12-4-6-14-40(38)48(41-15-7-5-13-39(41)47)46-26-18-33-17-16-32-11-8-28-51-49(32)50(33)54-46;36-24-15-18-29-23(20-24)14-17-30(38-29)32-25-7-1-3-9-27(25)33(28-10-4-2-8-26(28)32)31-16-13-22-12-11-21-6-5-19-37-34(21)35(22)39-31;1-20(2)21(3,4)25-22(24-20)17-11-13-19-16(14-17)10-12-18(23-19)15-8-6-5-7-9-15/h1-30H;1-20H;5-14H,1-4H3.

What are the key properties of 2-[10-(6-bromoquinolin-2-yl)anthracen-9-yl]-1,10-phenanthroline;2-[10-[6-(2-phenylquinolin-6-yl)quinolin-2-yl]anthracen-9-yl]-1,10-phenanthroline;2-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline?

2-[10-(6-bromoquinolin-2-yl)anthracen-9-yl]-1,10-phenanthroline;2-[10-[6-(2-phenylquinolin-6-yl)quinolin-2-yl]anthracen-9-yl]-1,10-phenanthroline;2-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline has a molecular weight of 1580.51 g/mol, XLogP of 26.79, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[10-(6-bromoquinolin-2-yl)anthracen-9-yl]-1,10-phenanthroline;2-[10-[6-(2-phenylquinolin-6-yl)quinolin-2-yl]anthracen-9-yl]-1,10-phenanthroline;2-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline is sourced from PubChem (CID 158055516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).