4-(4-bromophenyl)-2,6-dipyridin-2-ylpyridine;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine

C90H68BBrN12O2 — CID 159212135

IUPAC4-(4-bromophenyl)-2,6-dipyridin-2-ylpyridine;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESBrc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.CC1(C)OB(c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)OC1(C)C.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)c3)n2)cc1
InChIInChI=1S/C42H28N6.C27H26BN3O2.C21H14BrN3/c1-3-12-31(13-4-1)40-46-41(32-14-5-2-6-15-32)48-42(47-40)34-17-11-16-33(26-34)29-20-22-30(23-21-29)35-27-38(36-18-7-9-24-43-36)45-39(28-35)37-19-8-10-25-44-37;1-26(2)27(3,4)33-28(32-26)22-17-11-16-21(18-22)25-30-23(19-12-7-5-8-13-19)29-24(31-25)20-14-9-6-10-15-20;22-17-9-7-15(8-10-17)16-13-20(18-5-1-3-11-23-18)25-21(14-16)19-6-2-4-12-24-19/h1-28H;5-18H,1-4H3;1-14H
InChIKeyKQPUXIHJAXRINT-UHFFFAOYSA-N
MW1440.33 g/mol
LogP20.53
Rot. Bonds14

About 4-(4-bromophenyl)-2,6-dipyridin-2-ylpyridine;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine

4-(4-bromophenyl)-2,6-dipyridin-2-ylpyridine;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 159212135) has the molecular formula C90H68BBrN12O2 and a molecular weight of 1440.33 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2,6-dipyridin-2-ylpyridine;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name4-(4-bromophenyl)-2,6-dipyridin-2-ylpyridine;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID159212135
Molecular FormulaC90H68BBrN12O2
Molecular Weight1440.33 g/mol
Exact Mass1438.49
IUPAC Name4-(4-bromophenyl)-2,6-dipyridin-2-ylpyridine;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESBrc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.CC1(C)OB(c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)OC1(C)C.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)c3)n2)cc1
InChIInChI=1S/C42H28N6.C27H26BN3O2.C21H14BrN3/c1-3-12-31(13-4-1)40-46-41(32-14-5-2-6-15-32)48-42(47-40)34-17-11-16-33(26-34)29-20-22-30(23-21-29)35-27-38(36-18-7-9-24-43-36)45-39(28-35)37-19-8-10-25-44-37;1-26(2)27(3,4)33-28(32-26)22-17-11-16-21(18-22)25-30-23(19-12-7-5-8-13-19)29-24(31-25)20-14-9-6-10-15-20;22-17-9-7-15(8-10-17)16-13-20(18-5-1-3-11-23-18)25-21(14-16)19-6-2-4-12-24-19/h1-28H;5-18H,1-4H3;1-14H
InChIKeyKQPUXIHJAXRINT-UHFFFAOYSA-N
XLogP20.53
TPSA173.14 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001440.33
LogP ≤ 520.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 4-(4-bromophenyl)-2,6-dipyridin-2-ylpyridine;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2,6-dipyridin-2-ylpyridine;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 4-(4-bromophenyl)-2,6-dipyridin-2-ylpyridine;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 159212135) is 4-(4-bromophenyl)-2,6-dipyridin-2-ylpyridine;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 4-(4-bromophenyl)-2,6-dipyridin-2-ylpyridine;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 4-(4-bromophenyl)-2,6-dipyridin-2-ylpyridine;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is Brc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.CC1(C)OB(c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)OC1(C)C.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)c3)n2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-2,6-dipyridin-2-ylpyridine;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is KQPUXIHJAXRINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N6.C27H26BN3O2.C21H14BrN3/c1-3-12-31(13-4-1)40-46-41(32-14-5-2-6-15-32)48-42(47-40)34-17-11-16-33(26-34)29-20-22-30(23-21-29)35-27-38(36-18-7-9-24-43-36)45-39(28-35)37-19-8-10-25-44-37;1-26(2)27(3,4)33-28(32-26)22-17-11-16-21(18-22)25-30-23(19-12-7-5-8-13-19)29-24(31-25)20-14-9-6-10-15-20;22-17-9-7-15(8-10-17)16-13-20(18-5-1-3-11-23-18)25-21(14-16)19-6-2-4-12-24-19/h1-28H;5-18H,1-4H3;1-14H.
What are the key properties of 4-(4-bromophenyl)-2,6-dipyridin-2-ylpyridine;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
4-(4-bromophenyl)-2,6-dipyridin-2-ylpyridine;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 1440.33 g/mol, XLogP of 20.53, 14 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2,6-dipyridin-2-ylpyridine;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 159212135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).