2,4,6-tris(2,6-dipyridin-2-yl-4-pyridinyl)pyridine;2,4,6-tris(2,6-dipyridin-2-yl-4-pyridinyl)pyrimidine;2,4,6-tris(2,6-dipyridin-2-yl-4-pyridinyl)-1,3,5-triazine

C147H93N33 — CID 157431820

IUPAC2,4,6-tris(2,6-dipyridin-2-yl-4-pyridinyl)pyridine;2,4,6-tris(2,6-dipyridin-2-yl-4-pyridinyl)pyrimidine;2,4,6-tris(2,6-dipyridin-2-yl-4-pyridinyl)-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3cc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)nc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)c3)cc(-c3ccccn3)n2)nc1.c1ccc(-c2cc(-c3cc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)nc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)n3)cc(-c3ccccn3)n2)nc1.c1ccc(-c2cc(-c3nc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)nc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)n3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C50H32N10.C49H31N11.C48H30N12/c1-7-19-51-37(13-1)45-27-34(28-46(58-45)38-14-2-8-20-52-38)33-25-43(35-29-47(39-15-3-9-21-53-39)59-48(30-35)40-16-4-10-22-54-40)57-44(26-33)36-31-49(41-17-5-11-23-55-41)60-50(32-36)42-18-6-12-24-56-42;1-7-19-50-35(13-1)43-25-32(26-44(56-43)36-14-2-8-20-51-36)41-31-42(33-27-45(37-15-3-9-21-52-37)57-46(28-33)38-16-4-10-22-53-38)60-49(59-41)34-29-47(39-17-5-11-23-54-39)58-48(30-34)40-18-6-12-24-55-40;1-7-19-49-34(13-1)40-25-31(26-41(55-40)35-14-2-8-20-50-35)46-58-47(32-27-42(36-15-3-9-21-51-36)56-43(28-32)37-16-4-10-22-52-37)60-48(59-46)33-29-44(38-17-5-11-23-53-38)57-45(30-33)39-18-6-12-24-54-39/h1-32H;1-31H;1-30H
InChIKeyBQPZBMJOQXVPOZ-UHFFFAOYSA-N
MW2321.59 g/mol
LogP30.10
Rot. Bonds27

About 2,4,6-tris(2,6-dipyridin-2-yl-4-pyridinyl)pyridine;2,4,6-tris(2,6-dipyridin-2-yl-4-pyridinyl)pyrimidine;2,4,6-tris(2,6-dipyridin-2-yl-4-pyridinyl)-1,3,5-triazine

2,4,6-tris(2,6-dipyridin-2-yl-4-pyridinyl)pyridine;2,4,6-tris(2,6-dipyridin-2-yl-4-pyridinyl)pyrimidine;2,4,6-tris(2,6-dipyridin-2-yl-4-pyridinyl)-1,3,5-triazine (PubChem CID 157431820) has the molecular formula C147H93N33 and a molecular weight of 2321.59 g/mol. Its IUPAC name is 2,4,6-tris(2,6-dipyridin-2-yl-4-pyridinyl)pyridine;2,4,6-tris(2,6-dipyridin-2-yl-4-pyridinyl)pyrimidine;2,4,6-tris(2,6-dipyridin-2-yl-4-pyridinyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(2,6-dipyridin-2-yl-4-pyridinyl)pyridine;2,4,6-tris(2,6-dipyridin-2-yl-4-pyridinyl)pyrimidine;2,4,6-tris(2,6-dipyridin-2-yl-4-pyridinyl)-1,3,5-triazine
PubChem CID157431820
Molecular FormulaC147H93N33
Molecular Weight2321.59 g/mol
Exact Mass2319.83
IUPAC Name2,4,6-tris(2,6-dipyridin-2-yl-4-pyridinyl)pyridine;2,4,6-tris(2,6-dipyridin-2-yl-4-pyridinyl)pyrimidine;2,4,6-tris(2,6-dipyridin-2-yl-4-pyridinyl)-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3cc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)nc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)c3)cc(-c3ccccn3)n2)nc1.c1ccc(-c2cc(-c3cc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)nc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)n3)cc(-c3ccccn3)n2)nc1.c1ccc(-c2cc(-c3nc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)nc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)n3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C50H32N10.C49H31N11.C48H30N12/c1-7-19-51-37(13-1)45-27-34(28-46(58-45)38-14-2-8-20-52-38)33-25-43(35-29-47(39-15-3-9-21-53-39)59-48(30-35)40-16-4-10-22-54-40)57-44(26-33)36-31-49(41-17-5-11-23-55-41)60-50(32-36)42-18-6-12-24-56-42;1-7-19-50-35(13-1)43-25-32(26-44(56-43)36-14-2-8-20-51-36)41-31-42(33-27-45(37-15-3-9-21-52-37)57-46(28-33)38-16-4-10-22-53-38)60-49(59-41)34-29-47(39-17-5-11-23-54-39)58-48(30-34)40-18-6-12-24-55-40;1-7-19-49-34(13-1)40-25-31(26-41(55-40)35-14-2-8-20-50-35)46-58-47(32-27-42(36-15-3-9-21-51-36)56-43(28-32)37-16-4-10-22-52-37)60-48(59-46)33-29-44(38-17-5-11-23-53-38)57-45(30-33)39-18-6-12-24-54-39/h1-32H;1-31H;1-30H
InChIKeyBQPZBMJOQXVPOZ-UHFFFAOYSA-N
XLogP30.10
TPSA425.37 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds27
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002321.59
LogP ≤ 530.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Analyze 2,4,6-tris(2,6-dipyridin-2-yl-4-pyridinyl)pyridine;2,4,6-tris(2,6-dipyridin-2-yl-4-pyridinyl)pyrimidine;2,4,6-tris(2,6-dipyridin-2-yl-4-pyridinyl)-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(2,6-dipyridin-2-yl-4-pyridinyl)pyridine;2,4,6-tris(2,6-dipyridin-2-yl-4-pyridinyl)pyrimidine;2,4,6-tris(2,6-dipyridin-2-yl-4-pyridinyl)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(2,6-dipyridin-2-yl-4-pyridinyl)pyridine;2,4,6-tris(2,6-dipyridin-2-yl-4-pyridinyl)pyrimidine;2,4,6-tris(2,6-dipyridin-2-yl-4-pyridinyl)-1,3,5-triazine (CID 157431820) is 2,4,6-tris(2,6-dipyridin-2-yl-4-pyridinyl)pyridine;2,4,6-tris(2,6-dipyridin-2-yl-4-pyridinyl)pyrimidine;2,4,6-tris(2,6-dipyridin-2-yl-4-pyridinyl)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(2,6-dipyridin-2-yl-4-pyridinyl)pyridine;2,4,6-tris(2,6-dipyridin-2-yl-4-pyridinyl)pyrimidine;2,4,6-tris(2,6-dipyridin-2-yl-4-pyridinyl)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(2,6-dipyridin-2-yl-4-pyridinyl)pyridine;2,4,6-tris(2,6-dipyridin-2-yl-4-pyridinyl)pyrimidine;2,4,6-tris(2,6-dipyridin-2-yl-4-pyridinyl)-1,3,5-triazine is c1ccc(-c2cc(-c3cc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)nc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)c3)cc(-c3ccccn3)n2)nc1.c1ccc(-c2cc(-c3cc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)nc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)n3)cc(-c3ccccn3)n2)nc1.c1ccc(-c2cc(-c3nc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)nc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)n3)cc(-c3ccccn3)n2)nc1.
What is the InChIKey of 2,4,6-tris(2,6-dipyridin-2-yl-4-pyridinyl)pyridine;2,4,6-tris(2,6-dipyridin-2-yl-4-pyridinyl)pyrimidine;2,4,6-tris(2,6-dipyridin-2-yl-4-pyridinyl)-1,3,5-triazine?
The InChIKey is BQPZBMJOQXVPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N10.C49H31N11.C48H30N12/c1-7-19-51-37(13-1)45-27-34(28-46(58-45)38-14-2-8-20-52-38)33-25-43(35-29-47(39-15-3-9-21-53-39)59-48(30-35)40-16-4-10-22-54-40)57-44(26-33)36-31-49(41-17-5-11-23-55-41)60-50(32-36)42-18-6-12-24-56-42;1-7-19-50-35(13-1)43-25-32(26-44(56-43)36-14-2-8-20-51-36)41-31-42(33-27-45(37-15-3-9-21-52-37)57-46(28-33)38-16-4-10-22-53-38)60-49(59-41)34-29-47(39-17-5-11-23-54-39)58-48(30-34)40-18-6-12-24-55-40;1-7-19-49-34(13-1)40-25-31(26-41(55-40)35-14-2-8-20-50-35)46-58-47(32-27-42(36-15-3-9-21-51-36)56-43(28-32)37-16-4-10-22-52-37)60-48(59-46)33-29-44(38-17-5-11-23-53-38)57-45(30-33)39-18-6-12-24-54-39/h1-32H;1-31H;1-30H.
What are the key properties of 2,4,6-tris(2,6-dipyridin-2-yl-4-pyridinyl)pyridine;2,4,6-tris(2,6-dipyridin-2-yl-4-pyridinyl)pyrimidine;2,4,6-tris(2,6-dipyridin-2-yl-4-pyridinyl)-1,3,5-triazine?
2,4,6-tris(2,6-dipyridin-2-yl-4-pyridinyl)pyridine;2,4,6-tris(2,6-dipyridin-2-yl-4-pyridinyl)pyrimidine;2,4,6-tris(2,6-dipyridin-2-yl-4-pyridinyl)-1,3,5-triazine has a molecular weight of 2321.59 g/mol, XLogP of 30.10, 27 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(2,6-dipyridin-2-yl-4-pyridinyl)pyridine;2,4,6-tris(2,6-dipyridin-2-yl-4-pyridinyl)pyrimidine;2,4,6-tris(2,6-dipyridin-2-yl-4-pyridinyl)-1,3,5-triazine is sourced from PubChem (CID 157431820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).