2,4,6-tris(5-pyridin-2-yl-3-pyridinyl)pyrimidine

C34H22N8 — CID 58090461

IUPAC2,4,6-tris(5-pyridin-2-yl-3-pyridinyl)pyrimidine
SMILESc1ccc(-c2cncc(-c3cc(-c4cncc(-c5ccccn5)c4)nc(-c4cncc(-c5ccccn5)c4)n3)c2)nc1
InChIInChI=1S/C34H22N8/c1-4-10-38-29(7-1)23-13-26(20-35-17-23)32-16-33(27-14-24(18-36-21-27)30-8-2-5-11-39-30)42-34(41-32)28-15-25(19-37-22-28)31-9-3-6-12-40-31/h1-22H
InChIKeySPCLXCAEGAKBLT-UHFFFAOYSA-N
MW542.61 g/mol
LogP6.85
Rot. Bonds6

About 2,4,6-tris(5-pyridin-2-yl-3-pyridinyl)pyrimidine

2,4,6-tris(5-pyridin-2-yl-3-pyridinyl)pyrimidine (PubChem CID 58090461) has the molecular formula C34H22N8 and a molecular weight of 542.61 g/mol. Its IUPAC name is 2,4,6-tris(5-pyridin-2-yl-3-pyridinyl)pyrimidine.

Molecular Properties

Compound Name2,4,6-tris(5-pyridin-2-yl-3-pyridinyl)pyrimidine
PubChem CID58090461
Molecular FormulaC34H22N8
Molecular Weight542.61 g/mol
Exact Mass542.20
IUPAC Name2,4,6-tris(5-pyridin-2-yl-3-pyridinyl)pyrimidine
SMILESc1ccc(-c2cncc(-c3cc(-c4cncc(-c5ccccn5)c4)nc(-c4cncc(-c5ccccn5)c4)n3)c2)nc1
InChIInChI=1S/C34H22N8/c1-4-10-38-29(7-1)23-13-26(20-35-17-23)32-16-33(27-14-24(18-36-21-27)30-8-2-5-11-39-30)42-34(41-32)28-15-25(19-37-22-28)31-9-3-6-12-40-31/h1-22H
InChIKeySPCLXCAEGAKBLT-UHFFFAOYSA-N
XLogP6.85
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.61
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-[5-[4,6-bis(5-pyridin-2-yl-3-pyridinyl)-1,3,5-triazin-2-yl]-3-pyridinyl]benzonitrile
CID 71140568
2,4-bis(3-pyridin-2-ylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 122426506
2-[3,5-bis(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine;3-[3,5-bis(5-pyridin-2-yl-3-pyridinyl)phenyl]-5-pyridin-2-ylpyridine;2-[3,5-bis[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]-6-(6-pyridin-2-yl-2-pyridinyl)pyridine
CID 162168148
4-pyridin-2-yl-2-pyridin-3-yl-6-[3-[3-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenyl]pyrimidine
CID 163783283
4,6-diphenyl-2-[3-(4-phenylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 122549117
2-(4-pyridin-2-ylphenyl)-4,6-bis(4-pyridin-4-ylphenyl)pyrimidine
CID 122427629
3-(4-methylphenyl)-5-pyridin-2-ylpyridine
CID 59510713
2-phenyl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 134166118
2-(3,5-dipyridin-2-ylphenyl)-4,6-bis(4-pyridin-2-ylphenyl)-1,3,5-triazine
CID 118582359
2,4-diphenyl-6-pyridin-2-ylpyrimidine
CID 126746872
4-[3-(10-phenylanthracen-9-yl)phenyl]-2-pyridin-3-yl-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 118314136
2,4,6-tris[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyrimidine
CID 58090459

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(5-pyridin-2-yl-3-pyridinyl)pyrimidine?
The IUPAC name of 2,4,6-tris(5-pyridin-2-yl-3-pyridinyl)pyrimidine (CID 58090461) is 2,4,6-tris(5-pyridin-2-yl-3-pyridinyl)pyrimidine.
What is the SMILES notation for 2,4,6-tris(5-pyridin-2-yl-3-pyridinyl)pyrimidine?
The canonical SMILES for 2,4,6-tris(5-pyridin-2-yl-3-pyridinyl)pyrimidine is c1ccc(-c2cncc(-c3cc(-c4cncc(-c5ccccn5)c4)nc(-c4cncc(-c5ccccn5)c4)n3)c2)nc1.
What is the InChIKey of 2,4,6-tris(5-pyridin-2-yl-3-pyridinyl)pyrimidine?
The InChIKey is SPCLXCAEGAKBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N8/c1-4-10-38-29(7-1)23-13-26(20-35-17-23)32-16-33(27-14-24(18-36-21-27)30-8-2-5-11-39-30)42-34(41-32)28-15-25(19-37-22-28)31-9-3-6-12-40-31/h1-22H.
What are the key properties of 2,4,6-tris(5-pyridin-2-yl-3-pyridinyl)pyrimidine?
2,4,6-tris(5-pyridin-2-yl-3-pyridinyl)pyrimidine has a molecular weight of 542.61 g/mol, XLogP of 6.85, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(5-pyridin-2-yl-3-pyridinyl)pyrimidine is sourced from PubChem (CID 58090461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).