2-phenyl-4,6-bis(6-pyridin-2-yl-4-pyridin-4-yl-2-pyridinyl)pyrimidine

C40H26N8 — CID 101163111

IUPAC2-phenyl-4,6-bis(6-pyridin-2-yl-4-pyridin-4-yl-2-pyridinyl)pyrimidine
SMILESc1ccc(-c2nc(-c3cc(-c4ccncc4)cc(-c4ccccn4)n3)cc(-c3cc(-c4ccncc4)cc(-c4ccccn4)n3)n2)cc1
InChIInChI=1S/C40H26N8/c1-2-8-29(9-3-1)40-47-38(36-24-30(27-12-18-41-19-13-27)22-34(45-36)32-10-4-6-16-43-32)26-39(48-40)37-25-31(28-14-20-42-21-15-28)23-35(46-37)33-11-5-7-17-44-33/h1-26H
InChIKeyPWZCCAXCANOZSV-UHFFFAOYSA-N
MW618.70 g/mol
LogP8.52
Rot. Bonds7

About 2-phenyl-4,6-bis(6-pyridin-2-yl-4-pyridin-4-yl-2-pyridinyl)pyrimidine

2-phenyl-4,6-bis(6-pyridin-2-yl-4-pyridin-4-yl-2-pyridinyl)pyrimidine (PubChem CID 101163111) has the molecular formula C40H26N8 and a molecular weight of 618.70 g/mol. Its IUPAC name is 2-phenyl-4,6-bis(6-pyridin-2-yl-4-pyridin-4-yl-2-pyridinyl)pyrimidine.

Molecular Properties

Compound Name2-phenyl-4,6-bis(6-pyridin-2-yl-4-pyridin-4-yl-2-pyridinyl)pyrimidine
PubChem CID101163111
Molecular FormulaC40H26N8
Molecular Weight618.70 g/mol
Exact Mass618.23
IUPAC Name2-phenyl-4,6-bis(6-pyridin-2-yl-4-pyridin-4-yl-2-pyridinyl)pyrimidine
SMILESc1ccc(-c2nc(-c3cc(-c4ccncc4)cc(-c4ccccn4)n3)cc(-c3cc(-c4ccncc4)cc(-c4ccccn4)n3)n2)cc1
InChIInChI=1S/C40H26N8/c1-2-8-29(9-3-1)40-47-38(36-24-30(27-12-18-41-19-13-27)22-34(45-36)32-10-4-6-16-43-32)26-39(48-40)37-25-31(28-14-20-42-21-15-28)23-35(46-37)33-11-5-7-17-44-33/h1-26H
InChIKeyPWZCCAXCANOZSV-UHFFFAOYSA-N
XLogP8.52
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.70
LogP ≤ 58.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2,4,6-Tris(2'-pyridyl)-1,3,5-triazine
CID 77258
Cyclohexyl-(4-(1-piperazin-1-yl(2,6)naphthyridin-3-yl)pyridin-2-yl)amine
CID 25020250
Pik-iii
CID 67983123
2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 10267580
Tt-301
CID 54576073
N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-(pyridin-3-yl)pyrimidin-4-amine
CID 3296768
2-(4-Methylpiperazin-1-yl)-4-phenylpyrimidine
CID 10332554
3-Phenyl-4-(Pyridin-4-Yl)-6-[4-(Pyrimidin-2-Yl)piperazin-1-Yl]pyridazine
CID 24743826
JNJ525 TFA salt
CID 124222736
5-{4-[3-(2-Methylpyrimidin-5-yl)phenyl]piperazin-1-yl}pyrimidine-2,4-diamine
CID 130301107
US11420970, Example 198
CID 156073186
CXCR4 antagonist 6
CID 138501464

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4,6-bis(6-pyridin-2-yl-4-pyridin-4-yl-2-pyridinyl)pyrimidine?
The IUPAC name of 2-phenyl-4,6-bis(6-pyridin-2-yl-4-pyridin-4-yl-2-pyridinyl)pyrimidine (CID 101163111) is 2-phenyl-4,6-bis(6-pyridin-2-yl-4-pyridin-4-yl-2-pyridinyl)pyrimidine.
What is the SMILES notation for 2-phenyl-4,6-bis(6-pyridin-2-yl-4-pyridin-4-yl-2-pyridinyl)pyrimidine?
The canonical SMILES for 2-phenyl-4,6-bis(6-pyridin-2-yl-4-pyridin-4-yl-2-pyridinyl)pyrimidine is c1ccc(-c2nc(-c3cc(-c4ccncc4)cc(-c4ccccn4)n3)cc(-c3cc(-c4ccncc4)cc(-c4ccccn4)n3)n2)cc1.
What is the InChIKey of 2-phenyl-4,6-bis(6-pyridin-2-yl-4-pyridin-4-yl-2-pyridinyl)pyrimidine?
The InChIKey is PWZCCAXCANOZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N8/c1-2-8-29(9-3-1)40-47-38(36-24-30(27-12-18-41-19-13-27)22-34(45-36)32-10-4-6-16-43-32)26-39(48-40)37-25-31(28-14-20-42-21-15-28)23-35(46-37)33-11-5-7-17-44-33/h1-26H.
What are the key properties of 2-phenyl-4,6-bis(6-pyridin-2-yl-4-pyridin-4-yl-2-pyridinyl)pyrimidine?
2-phenyl-4,6-bis(6-pyridin-2-yl-4-pyridin-4-yl-2-pyridinyl)pyrimidine has a molecular weight of 618.70 g/mol, XLogP of 8.52, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4,6-bis(6-pyridin-2-yl-4-pyridin-4-yl-2-pyridinyl)pyrimidine is sourced from PubChem (CID 101163111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).