4,6-dipyridin-3-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine;4-naphthalen-1-yl-6-pyridin-3-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine;4-phenyl-6-pyridin-2-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine

C84H79B3N10O6 — CID 157331535

IUPAC4,6-dipyridin-3-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine;4-naphthalen-1-yl-6-pyridin-3-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine;4-phenyl-6-pyridin-2-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine
SMILESCC1(C)OB(c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccn4)n3)cc2)OC1(C)C.CC1(C)OB(c2ccc(-c3nc(-c4cccnc4)cc(-c4cccc5ccccc45)n3)cc2)OC1(C)C.CC1(C)OB(c2ccc(-c3nc(-c4cccnc4)cc(-c4cccnc4)n3)cc2)OC1(C)C
InChIInChI=1S/C31H28BN3O2.C27H26BN3O2.C26H25BN4O2/c1-30(2)31(3,4)37-32(36-30)24-16-14-22(15-17-24)29-34-27(23-11-8-18-33-20-23)19-28(35-29)26-13-7-10-21-9-5-6-12-25(21)26;1-26(2)27(3,4)33-28(32-26)21-15-13-20(14-16-21)25-30-23(19-10-6-5-7-11-19)18-24(31-25)22-12-8-9-17-29-22;1-25(2)26(3,4)33-27(32-25)21-11-9-18(10-12-21)24-30-22(19-7-5-13-28-16-19)15-23(31-24)20-8-6-14-29-17-20/h5-20H,1-4H3;5-18H,1-4H3;5-17H,1-4H3
InChIKeyBFINGLAWGLYSHE-UHFFFAOYSA-N
MW1357.06 g/mol
LogP16.06
Rot. Bonds12

About 4,6-dipyridin-3-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine;4-naphthalen-1-yl-6-pyridin-3-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine;4-phenyl-6-pyridin-2-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine

4,6-dipyridin-3-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine;4-naphthalen-1-yl-6-pyridin-3-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine;4-phenyl-6-pyridin-2-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine (PubChem CID 157331535) has the molecular formula C84H79B3N10O6 and a molecular weight of 1357.06 g/mol. Its IUPAC name is 4,6-dipyridin-3-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine;4-naphthalen-1-yl-6-pyridin-3-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine;4-phenyl-6-pyridin-2-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine.

Molecular Properties

Compound Name4,6-dipyridin-3-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine;4-naphthalen-1-yl-6-pyridin-3-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine;4-phenyl-6-pyridin-2-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine
PubChem CID157331535
Molecular FormulaC84H79B3N10O6
Molecular Weight1357.06 g/mol
Exact Mass1356.65
IUPAC Name4,6-dipyridin-3-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine;4-naphthalen-1-yl-6-pyridin-3-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine;4-phenyl-6-pyridin-2-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine
SMILESCC1(C)OB(c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccn4)n3)cc2)OC1(C)C.CC1(C)OB(c2ccc(-c3nc(-c4cccnc4)cc(-c4cccc5ccccc45)n3)cc2)OC1(C)C.CC1(C)OB(c2ccc(-c3nc(-c4cccnc4)cc(-c4cccnc4)n3)cc2)OC1(C)C
InChIInChI=1S/C31H28BN3O2.C27H26BN3O2.C26H25BN4O2/c1-30(2)31(3,4)37-32(36-30)24-16-14-22(15-17-24)29-34-27(23-11-8-18-33-20-23)19-28(35-29)26-13-7-10-21-9-5-6-12-25(21)26;1-26(2)27(3,4)33-28(32-26)21-15-13-20(14-16-21)25-30-23(19-10-6-5-7-11-19)18-24(31-25)22-12-8-9-17-29-22;1-25(2)26(3,4)33-27(32-25)21-11-9-18(10-12-21)24-30-22(19-7-5-13-28-16-19)15-23(31-24)20-8-6-14-29-17-20/h5-20H,1-4H3;5-18H,1-4H3;5-17H,1-4H3
InChIKeyBFINGLAWGLYSHE-UHFFFAOYSA-N
XLogP16.06
TPSA184.28 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001357.06
LogP ≤ 516.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 4,6-dipyridin-3-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine;4-naphthalen-1-yl-6-pyridin-3-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine;4-phenyl-6-pyridin-2-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine with MolForge

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Related Compounds

2-Tert-butyl-4-[8-[2-tert-butyl-6-(2,4,6-trimethylphenyl)pyrimidin-4-yl]-4-phenylpyren-1-yl]-6-(2,4,6-trimethylphenyl)pyrimidine;2-[8-(4,6-dimethylpyrimidin-2-yl)-3-[3-methyl-5-(trifluoromethyl)phenyl]pyren-1-yl]-4,6-dimethylpyrimidine;4-(2-methylphenyl)-2-[8-[4-(2-methylphenyl)pyrimidin-2-yl]-3,6-bis(2-propan-2-ylphenyl)pyren-1-yl]pyrimidine
CID 158432573
4-[3,5-bis(trifluoromethyl)phenyl]-2-chloropyrimidine;[4-[4-[3,5-bis(trifluoromethyl)phenyl]pyrimidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-methylborinic acid;[4-[4-[3,5-bis(trifluoromethyl)phenyl]pyrimidin-2-yl]piperidin-1-yl]-methylborinic acid;methyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]borinic acid
CID 162153392
5-[3,5-Bis[8,8-dimethyl-11-[1-(2,4,6-triphenylpyrimidin-5-yl)propan-2-yl]-4,12-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-5-yl]phenyl]-8,8-dimethyl-11-[1-(2,4,6-triphenylpyrimidin-5-yl)propan-2-yl]-4,12-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 57958328
2,4,6-Tris[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyrimidine
CID 58090459
2,4,6-Tris(4-phenyl-6-pyridin-3-yl-2-pyridinyl)pyrimidine
CID 58090477
2-[4-[10-[4-(4,6-Dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]anthracen-9-yl]phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine
CID 58233404
2,4-Bis(4-tert-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;iridium
CID 58280814
4-[21-(3-Phenyl-2-pyridinyl)-28-(3-pyridin-2-yl-2-pyridinyl)-14-(5-pyridin-2-ylpyrimidin-4-yl)-3-nonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(32),2,4,6,8,10,12,14,16(33),17,19(34),20,22,24,26,28,30-heptadecaenyl]-5-pyridin-2-ylpyrimidine
CID 58282313
4-[5-[3-[4,6-Bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-(6-isoquinolin-4-yl-3-pyridinyl)phenyl]-2-pyridinyl]isoquinoline
CID 58382635
2,5-Bis[3,5-bis(2-pyrimidin-2-ylphenyl)phenyl]pyrazine
CID 59133463
2-(3-Methyl-4-naphthalen-2-ylphenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine
CID 59273741
2-(4-Phenanthren-9-ylphenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine
CID 59273750

Frequently Asked Questions

What is the IUPAC name of 4,6-dipyridin-3-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine;4-naphthalen-1-yl-6-pyridin-3-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine;4-phenyl-6-pyridin-2-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine?
The IUPAC name of 4,6-dipyridin-3-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine;4-naphthalen-1-yl-6-pyridin-3-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine;4-phenyl-6-pyridin-2-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine (CID 157331535) is 4,6-dipyridin-3-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine;4-naphthalen-1-yl-6-pyridin-3-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine;4-phenyl-6-pyridin-2-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine.
What is the SMILES notation for 4,6-dipyridin-3-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine;4-naphthalen-1-yl-6-pyridin-3-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine;4-phenyl-6-pyridin-2-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine?
The canonical SMILES for 4,6-dipyridin-3-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine;4-naphthalen-1-yl-6-pyridin-3-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine;4-phenyl-6-pyridin-2-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine is CC1(C)OB(c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccn4)n3)cc2)OC1(C)C.CC1(C)OB(c2ccc(-c3nc(-c4cccnc4)cc(-c4cccc5ccccc45)n3)cc2)OC1(C)C.CC1(C)OB(c2ccc(-c3nc(-c4cccnc4)cc(-c4cccnc4)n3)cc2)OC1(C)C.
What is the InChIKey of 4,6-dipyridin-3-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine;4-naphthalen-1-yl-6-pyridin-3-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine;4-phenyl-6-pyridin-2-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine?
The InChIKey is BFINGLAWGLYSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28BN3O2.C27H26BN3O2.C26H25BN4O2/c1-30(2)31(3,4)37-32(36-30)24-16-14-22(15-17-24)29-34-27(23-11-8-18-33-20-23)19-28(35-29)26-13-7-10-21-9-5-6-12-25(21)26;1-26(2)27(3,4)33-28(32-26)21-15-13-20(14-16-21)25-30-23(19-10-6-5-7-11-19)18-24(31-25)22-12-8-9-17-29-22;1-25(2)26(3,4)33-27(32-25)21-11-9-18(10-12-21)24-30-22(19-7-5-13-28-16-19)15-23(31-24)20-8-6-14-29-17-20/h5-20H,1-4H3;5-18H,1-4H3;5-17H,1-4H3.
What are the key properties of 4,6-dipyridin-3-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine;4-naphthalen-1-yl-6-pyridin-3-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine;4-phenyl-6-pyridin-2-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine?
4,6-dipyridin-3-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine;4-naphthalen-1-yl-6-pyridin-3-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine;4-phenyl-6-pyridin-2-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine has a molecular weight of 1357.06 g/mol, XLogP of 16.06, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dipyridin-3-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine;4-naphthalen-1-yl-6-pyridin-3-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine;4-phenyl-6-pyridin-2-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine is sourced from PubChem (CID 157331535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).