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

C39H25N9 — CID 71127779

IUPAC2,4-bis(6-pyridin-2-yl-2-pyridinyl)-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]pyrimidine
SMILESc1ccc(-c2cccc(-c3cccc(-c4cc(-c5cccc(-c6ccccn6)n5)nc(-c5cccc(-c6ccccn6)n5)n4)n3)n2)nc1
InChIInChI=1S/C39H25N9/c1-4-22-40-26(11-1)29-14-7-17-32(43-29)33-18-9-20-35(45-33)38-25-37(34-19-8-15-30(44-34)27-12-2-5-23-41-27)47-39(48-38)36-21-10-16-31(46-36)28-13-3-6-24-42-28/h1-25H
InChIKeyVLNLCKARXPMNPF-UHFFFAOYSA-N
MW619.69 g/mol
LogP7.91
Rot. Bonds7

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

2,4-bis(6-pyridin-2-yl-2-pyridinyl)-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]pyrimidine (PubChem CID 71127779) has the molecular formula C39H25N9 and a molecular weight of 619.69 g/mol. Its IUPAC name is 2,4-bis(6-pyridin-2-yl-2-pyridinyl)-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]pyrimidine.

Molecular Properties

Compound Name2,4-bis(6-pyridin-2-yl-2-pyridinyl)-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]pyrimidine
PubChem CID71127779
Molecular FormulaC39H25N9
Molecular Weight619.69 g/mol
Exact Mass619.22
IUPAC Name2,4-bis(6-pyridin-2-yl-2-pyridinyl)-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]pyrimidine
SMILESc1ccc(-c2cccc(-c3cccc(-c4cc(-c5cccc(-c6ccccn6)n5)nc(-c5cccc(-c6ccccn6)n5)n4)n3)n2)nc1
InChIInChI=1S/C39H25N9/c1-4-22-40-26(11-1)29-14-7-17-32(43-29)33-18-9-20-35(45-33)38-25-37(34-19-8-15-30(44-34)27-12-2-5-23-41-27)47-39(48-38)36-21-10-16-31(46-36)28-13-3-6-24-42-28/h1-25H
InChIKeyVLNLCKARXPMNPF-UHFFFAOYSA-N
XLogP7.91
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.69
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2,4-bis(6-pyridin-2-yl-2-pyridinyl)-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(6-pyridin-2-yl-2-pyridinyl)-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]pyrimidine?
The IUPAC name of 2,4-bis(6-pyridin-2-yl-2-pyridinyl)-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]pyrimidine (CID 71127779) is 2,4-bis(6-pyridin-2-yl-2-pyridinyl)-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]pyrimidine.
What is the SMILES notation for 2,4-bis(6-pyridin-2-yl-2-pyridinyl)-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]pyrimidine?
The canonical SMILES for 2,4-bis(6-pyridin-2-yl-2-pyridinyl)-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]pyrimidine is c1ccc(-c2cccc(-c3cccc(-c4cc(-c5cccc(-c6ccccn6)n5)nc(-c5cccc(-c6ccccn6)n5)n4)n3)n2)nc1.
What is the InChIKey of 2,4-bis(6-pyridin-2-yl-2-pyridinyl)-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]pyrimidine?
The InChIKey is VLNLCKARXPMNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N9/c1-4-22-40-26(11-1)29-14-7-17-32(43-29)33-18-9-20-35(45-33)38-25-37(34-19-8-15-30(44-34)27-12-2-5-23-41-27)47-39(48-38)36-21-10-16-31(46-36)28-13-3-6-24-42-28/h1-25H.
What are the key properties of 2,4-bis(6-pyridin-2-yl-2-pyridinyl)-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]pyrimidine?
2,4-bis(6-pyridin-2-yl-2-pyridinyl)-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]pyrimidine has a molecular weight of 619.69 g/mol, XLogP of 7.91, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(6-pyridin-2-yl-2-pyridinyl)-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]pyrimidine is sourced from PubChem (CID 71127779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).