4-[10-[3-(3-chlorophenyl)phenyl]anthracen-9-yl]pyridine;4-[10-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]anthracen-9-yl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C80H76B3ClN2O6 — CID 165096611

About 4-[10-[3-(3-chlorophenyl)phenyl]anthracen-9-yl]pyridine;4-[10-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]anthracen-9-yl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

4-[10-[3-(3-chlorophenyl)phenyl]anthracen-9-yl]pyridine;4-[10-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]anthracen-9-yl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 165096611) has the molecular formula C80H76B3ClN2O6 and a molecular weight of 1229.38 g/mol. Its IUPAC name is 4-[10-[3-(3-chlorophenyl)phenyl]anthracen-9-yl]pyridine;4-[10-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]anthracen-9-yl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 4-[10-[3-(3-chlorophenyl)phenyl]anthracen-9-yl]pyridine;4-[10-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]anthracen-9-yl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 165096611
• Molecular Formula: C80H76B3ClN2O6
• Molecular Weight: 1229.38 g/mol
• Exact Mass: 1228.57
• IUPAC Name: 4-[10-[3-(3-chlorophenyl)phenyl]anthracen-9-yl]pyridine;4-[10-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]anthracen-9-yl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cccc(-c3cccc(-c4c5ccccc5c(-c5ccncc5)c5ccccc45)c3)c2)OC1(C)C.Clc1cccc(-c2cccc(-c3c4ccccc4c(-c4ccncc4)c4ccccc34)c2)c1
• InChI: InChI=1S/C37H32BNO2.C31H20ClN.C12H24B2O4/c1-36(2)37(3,4)41-38(40-36)29-14-10-12-27(24-29)26-11-9-13-28(23-26)35-32-17-7-5-15-30(32)34(25-19-21-39-22-20-25)31-16-6-8-18-33(31)35;32-25-10-6-8-23(20-25)22-7-5-9-24(19-22)31-28-13-3-1-11-26(28)30(21-15-17-33-18-16-21)27-12-2-4-14-29(27)31;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h5-24H,1-4H3;1-20H;1-8H3
• InChIKey: XPRPPRDTOBJLRH-UHFFFAOYSA-N
• XLogP: 19.98
• TPSA: 81.16 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1229.38
LogP ≤ 5	19.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

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 4-[10-[3-(3-chlorophenyl)phenyl]anthracen-9-yl]pyridine;4-[10-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]anthracen-9-yl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of 4-[10-[3-(3-chlorophenyl)phenyl]anthracen-9-yl]pyridine;4-[10-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]anthracen-9-yl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 165096611) is 4-[10-[3-(3-chlorophenyl)phenyl]anthracen-9-yl]pyridine;4-[10-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]anthracen-9-yl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for 4-[10-[3-(3-chlorophenyl)phenyl]anthracen-9-yl]pyridine;4-[10-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]anthracen-9-yl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for 4-[10-[3-(3-chlorophenyl)phenyl]anthracen-9-yl]pyridine;4-[10-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]anthracen-9-yl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cccc(-c3cccc(-c4c5ccccc5c(-c5ccncc5)c5ccccc45)c3)c2)OC1(C)C.Clc1cccc(-c2cccc(-c3c4ccccc4c(-c4ccncc4)c4ccccc34)c2)c1.

What is the InChIKey of 4-[10-[3-(3-chlorophenyl)phenyl]anthracen-9-yl]pyridine;4-[10-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]anthracen-9-yl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is XPRPPRDTOBJLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32BNO2.C31H20ClN.C12H24B2O4/c1-36(2)37(3,4)41-38(40-36)29-14-10-12-27(24-29)26-11-9-13-28(23-26)35-32-17-7-5-15-30(32)34(25-19-21-39-22-20-25)31-16-6-8-18-33(31)35;32-25-10-6-8-23(20-25)22-7-5-9-24(19-22)31-28-13-3-1-11-26(28)30(21-15-17-33-18-16-21)27-12-2-4-14-29(27)31;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h5-24H,1-4H3;1-20H;1-8H3.

What are the key properties of 4-[10-[3-(3-chlorophenyl)phenyl]anthracen-9-yl]pyridine;4-[10-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]anthracen-9-yl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

4-[10-[3-(3-chlorophenyl)phenyl]anthracen-9-yl]pyridine;4-[10-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]anthracen-9-yl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 1229.38 g/mol, XLogP of 19.98, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[10-[3-(3-chlorophenyl)phenyl]anthracen-9-yl]pyridine;4-[10-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]anthracen-9-yl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 165096611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).