2,6-dichloro-4-phenylpyridine;2-[6-(1,10-phenanthrolin-2-yl)-4-phenyl-2-pyridinyl]-1,10-phenanthroline;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,10-phenanthroline

C64H47BCl2N8O2 — CID 161395848

IUPAC2,6-dichloro-4-phenylpyridine;2-[6-(1,10-phenanthrolin-2-yl)-4-phenyl-2-pyridinyl]-1,10-phenanthroline;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,10-phenanthroline
SMILESCC1(C)OB(c2ccc3ccc4cccnc4c3n2)OC1(C)C.Clc1cc(-c2ccccc2)cc(Cl)n1.c1ccc(-c2cc(-c3ccc4ccc5cccnc5c4n3)nc(-c3ccc4ccc5cccnc5c4n3)c2)cc1
InChIInChI=1S/C35H21N5.C18H19BN2O2.C11H7Cl2N/c1-2-6-22(7-3-1)27-20-30(28-16-14-25-12-10-23-8-4-18-36-32(23)34(25)39-28)38-31(21-27)29-17-15-26-13-11-24-9-5-19-37-33(24)35(26)40-29;1-17(2)18(3,4)23-19(22-17)14-10-9-13-8-7-12-6-5-11-20-15(12)16(13)21-14;12-10-6-9(7-11(13)14-10)8-4-2-1-3-5-8/h1-21H;5-11H,1-4H3;1-7H
InChIKeyVTOXKXOBSZVXQP-UHFFFAOYSA-N
MW1041.85 g/mol
LogP15.41
Rot. Bonds5

About 2,6-dichloro-4-phenylpyridine;2-[6-(1,10-phenanthrolin-2-yl)-4-phenyl-2-pyridinyl]-1,10-phenanthroline;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,10-phenanthroline

2,6-dichloro-4-phenylpyridine;2-[6-(1,10-phenanthrolin-2-yl)-4-phenyl-2-pyridinyl]-1,10-phenanthroline;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,10-phenanthroline (PubChem CID 161395848) has the molecular formula C64H47BCl2N8O2 and a molecular weight of 1041.85 g/mol. Its IUPAC name is 2,6-dichloro-4-phenylpyridine;2-[6-(1,10-phenanthrolin-2-yl)-4-phenyl-2-pyridinyl]-1,10-phenanthroline;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,10-phenanthroline.

Molecular Properties

Compound Name2,6-dichloro-4-phenylpyridine;2-[6-(1,10-phenanthrolin-2-yl)-4-phenyl-2-pyridinyl]-1,10-phenanthroline;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,10-phenanthroline
PubChem CID161395848
Molecular FormulaC64H47BCl2N8O2
Molecular Weight1041.85 g/mol
Exact Mass1040.33
IUPAC Name2,6-dichloro-4-phenylpyridine;2-[6-(1,10-phenanthrolin-2-yl)-4-phenyl-2-pyridinyl]-1,10-phenanthroline;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,10-phenanthroline
SMILESCC1(C)OB(c2ccc3ccc4cccnc4c3n2)OC1(C)C.Clc1cc(-c2ccccc2)cc(Cl)n1.c1ccc(-c2cc(-c3ccc4ccc5cccnc5c4n3)nc(-c3ccc4ccc5cccnc5c4n3)c2)cc1
InChIInChI=1S/C35H21N5.C18H19BN2O2.C11H7Cl2N/c1-2-6-22(7-3-1)27-20-30(28-16-14-25-12-10-23-8-4-18-36-32(23)34(25)39-28)38-31(21-27)29-17-15-26-13-11-24-9-5-19-37-33(24)35(26)40-29;1-17(2)18(3,4)23-19(22-17)14-10-9-13-8-7-12-6-5-11-20-15(12)16(13)21-14;12-10-6-9(7-11(13)14-10)8-4-2-1-3-5-8/h1-21H;5-11H,1-4H3;1-7H
InChIKeyVTOXKXOBSZVXQP-UHFFFAOYSA-N
XLogP15.41
TPSA121.58 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001041.85
LogP ≤ 515.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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_3', 'substructure': 'N/A'}

Analyze 2,6-dichloro-4-phenylpyridine;2-[6-(1,10-phenanthrolin-2-yl)-4-phenyl-2-pyridinyl]-1,10-phenanthroline;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,10-phenanthroline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,10-Phenanthroline ferrous perchlorate
CID 84537
Tris(bipyridine)ruthenium(II) chloride hexahydrate
CID 170850
Nickel(2+), tris(4,7-diphenyl-1,10-phenanthroline-kappaN1,kappaN10)-, (OC-6-11)-, nitrate (1:2)
CID 11979834
Tris(1,10-phenanthroline); dichlororuthenium
CID 6096197
Dichlororuthenium--4,7-diphenyl-1,10-phenanthroline (1/3)
CID 11980975
tris(4,7-diphenyl-1,10-phenanthroline)-rhodium (III)
CID 11979749
Tris(4,7-diphenyl-1,10-phenanthroline)ruthenium (II)
CID 11979786
Dichlororuthenium--1,10-phenanthroline--water (1/3/1)
CID 71311432
(Tris(1,10-phenanthroline)cobalt(II)) chloride
CID 167251
tris(1,10-phenanthroline)cobalt(III) trichloride pentahydrate
CID 146012815
Tris(diphenylphenanthroline)cobalt(III)
CID 11979785
Iron(2+)-tris(bathophenanthroline)
CID 11980088

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-phenylpyridine;2-[6-(1,10-phenanthrolin-2-yl)-4-phenyl-2-pyridinyl]-1,10-phenanthroline;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,10-phenanthroline?
The IUPAC name of 2,6-dichloro-4-phenylpyridine;2-[6-(1,10-phenanthrolin-2-yl)-4-phenyl-2-pyridinyl]-1,10-phenanthroline;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,10-phenanthroline (CID 161395848) is 2,6-dichloro-4-phenylpyridine;2-[6-(1,10-phenanthrolin-2-yl)-4-phenyl-2-pyridinyl]-1,10-phenanthroline;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,10-phenanthroline.
What is the SMILES notation for 2,6-dichloro-4-phenylpyridine;2-[6-(1,10-phenanthrolin-2-yl)-4-phenyl-2-pyridinyl]-1,10-phenanthroline;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,10-phenanthroline?
The canonical SMILES for 2,6-dichloro-4-phenylpyridine;2-[6-(1,10-phenanthrolin-2-yl)-4-phenyl-2-pyridinyl]-1,10-phenanthroline;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,10-phenanthroline is CC1(C)OB(c2ccc3ccc4cccnc4c3n2)OC1(C)C.Clc1cc(-c2ccccc2)cc(Cl)n1.c1ccc(-c2cc(-c3ccc4ccc5cccnc5c4n3)nc(-c3ccc4ccc5cccnc5c4n3)c2)cc1.
What is the InChIKey of 2,6-dichloro-4-phenylpyridine;2-[6-(1,10-phenanthrolin-2-yl)-4-phenyl-2-pyridinyl]-1,10-phenanthroline;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,10-phenanthroline?
The InChIKey is VTOXKXOBSZVXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21N5.C18H19BN2O2.C11H7Cl2N/c1-2-6-22(7-3-1)27-20-30(28-16-14-25-12-10-23-8-4-18-36-32(23)34(25)39-28)38-31(21-27)29-17-15-26-13-11-24-9-5-19-37-33(24)35(26)40-29;1-17(2)18(3,4)23-19(22-17)14-10-9-13-8-7-12-6-5-11-20-15(12)16(13)21-14;12-10-6-9(7-11(13)14-10)8-4-2-1-3-5-8/h1-21H;5-11H,1-4H3;1-7H.
What are the key properties of 2,6-dichloro-4-phenylpyridine;2-[6-(1,10-phenanthrolin-2-yl)-4-phenyl-2-pyridinyl]-1,10-phenanthroline;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,10-phenanthroline?
2,6-dichloro-4-phenylpyridine;2-[6-(1,10-phenanthrolin-2-yl)-4-phenyl-2-pyridinyl]-1,10-phenanthroline;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,10-phenanthroline has a molecular weight of 1041.85 g/mol, XLogP of 15.41, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-phenylpyridine;2-[6-(1,10-phenanthrolin-2-yl)-4-phenyl-2-pyridinyl]-1,10-phenanthroline;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,10-phenanthroline is sourced from PubChem (CID 161395848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).