2-chloro-4,7-diphenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline;2,9-dichloro-4,7-diphenyl-1,10-phenanthroline;4,4,5,5-tetramethyl-2-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,2-dioxaborolane

C106H74BCl3N4O2 — CID 162211861

About 2-chloro-4,7-diphenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline;2,9-dichloro-4,7-diphenyl-1,10-phenanthroline;4,4,5,5-tetramethyl-2-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,2-dioxaborolane

2-chloro-4,7-diphenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline;2,9-dichloro-4,7-diphenyl-1,10-phenanthroline;4,4,5,5-tetramethyl-2-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,2-dioxaborolane (PubChem CID 162211861) has the molecular formula C106H74BCl3N4O2 and a molecular weight of 1552.95 g/mol. Its IUPAC name is 2-chloro-4,7-diphenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline;2,9-dichloro-4,7-diphenyl-1,10-phenanthroline;4,4,5,5-tetramethyl-2-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 2-chloro-4,7-diphenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline;2,9-dichloro-4,7-diphenyl-1,10-phenanthroline;4,4,5,5-tetramethyl-2-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,2-dioxaborolane
• PubChem CID: 162211861
• Molecular Formula: C106H74BCl3N4O2
• Molecular Weight: 1552.95 g/mol
• Exact Mass: 1550.50
• IUPAC Name: 2-chloro-4,7-diphenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline;2,9-dichloro-4,7-diphenyl-1,10-phenanthroline;4,4,5,5-tetramethyl-2-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,2-dioxaborolane
• SMILES: CC1(C)OB(c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)OC1(C)C.Clc1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4)nc3c2n1.Clc1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(Cl)nc3c2n1
• InChI: InChI=1S/C50H31ClN2.C32H29BO2.C24H14Cl2N2/c51-46-31-44(33-16-6-2-7-17-33)42-29-28-41-43(32-14-4-1-5-15-32)30-45(52-49(41)50(42)53-46)34-24-26-36(27-25-34)48-39-22-12-10-20-37(39)47(35-18-8-3-9-19-35)38-21-11-13-23-40(38)48;1-31(2)32(3,4)35-33(34-31)24-20-18-23(19-21-24)30-27-16-10-8-14-25(27)29(22-12-6-5-7-13-22)26-15-9-11-17-28(26)30;25-21-13-19(15-7-3-1-4-8-15)17-11-12-18-20(16-9-5-2-6-10-16)14-22(26)28-24(18)23(17)27-21/h1-31H;5-21H,1-4H3;1-14H
• InChIKey: ZSYIDOLYWPOVBB-UHFFFAOYSA-N
• XLogP: 29.13
• TPSA: 70.02 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1552.95
LogP ≤ 5	29.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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-chloro-4,7-diphenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline;2,9-dichloro-4,7-diphenyl-1,10-phenanthroline;4,4,5,5-tetramethyl-2-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,2-dioxaborolane?

The IUPAC name of 2-chloro-4,7-diphenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline;2,9-dichloro-4,7-diphenyl-1,10-phenanthroline;4,4,5,5-tetramethyl-2-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,2-dioxaborolane (CID 162211861) is 2-chloro-4,7-diphenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline;2,9-dichloro-4,7-diphenyl-1,10-phenanthroline;4,4,5,5-tetramethyl-2-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,2-dioxaborolane.

What is the SMILES notation for 2-chloro-4,7-diphenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline;2,9-dichloro-4,7-diphenyl-1,10-phenanthroline;4,4,5,5-tetramethyl-2-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,2-dioxaborolane?

The canonical SMILES for 2-chloro-4,7-diphenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline;2,9-dichloro-4,7-diphenyl-1,10-phenanthroline;4,4,5,5-tetramethyl-2-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,2-dioxaborolane is CC1(C)OB(c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)OC1(C)C.Clc1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4)nc3c2n1.Clc1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(Cl)nc3c2n1.

What is the InChIKey of 2-chloro-4,7-diphenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline;2,9-dichloro-4,7-diphenyl-1,10-phenanthroline;4,4,5,5-tetramethyl-2-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,2-dioxaborolane?

The InChIKey is ZSYIDOLYWPOVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31ClN2.C32H29BO2.C24H14Cl2N2/c51-46-31-44(33-16-6-2-7-17-33)42-29-28-41-43(32-14-4-1-5-15-32)30-45(52-49(41)50(42)53-46)34-24-26-36(27-25-34)48-39-22-12-10-20-37(39)47(35-18-8-3-9-19-35)38-21-11-13-23-40(38)48;1-31(2)32(3,4)35-33(34-31)24-20-18-23(19-21-24)30-27-16-10-8-14-25(27)29(22-12-6-5-7-13-22)26-15-9-11-17-28(26)30;25-21-13-19(15-7-3-1-4-8-15)17-11-12-18-20(16-9-5-2-6-10-16)14-22(26)28-24(18)23(17)27-21/h1-31H;5-21H,1-4H3;1-14H.

What are the key properties of 2-chloro-4,7-diphenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline;2,9-dichloro-4,7-diphenyl-1,10-phenanthroline;4,4,5,5-tetramethyl-2-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,2-dioxaborolane?

2-chloro-4,7-diphenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline;2,9-dichloro-4,7-diphenyl-1,10-phenanthroline;4,4,5,5-tetramethyl-2-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,2-dioxaborolane has a molecular weight of 1552.95 g/mol, XLogP of 29.13, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4,7-diphenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline;2,9-dichloro-4,7-diphenyl-1,10-phenanthroline;4,4,5,5-tetramethyl-2-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 162211861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).