2-methyl-9-phenyl-4-[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-phenyl-4-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)phenyl]-1,10-phenanthroline

C80H54N10 — CID 159373587

About 2-methyl-9-phenyl-4-[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-phenyl-4-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)phenyl]-1,10-phenanthroline

2-methyl-9-phenyl-4-[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-phenyl-4-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)phenyl]-1,10-phenanthroline (PubChem CID 159373587) has the molecular formula C80H54N10 and a molecular weight of 1155.38 g/mol. Its IUPAC name is 2-methyl-9-phenyl-4-[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-phenyl-4-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)phenyl]-1,10-phenanthroline.

Molecular Properties

• Compound Name: 2-methyl-9-phenyl-4-[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-phenyl-4-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)phenyl]-1,10-phenanthroline
• PubChem CID: 159373587
• Molecular Formula: C80H54N10
• Molecular Weight: 1155.38 g/mol
• Exact Mass: 1154.45
• IUPAC Name: 2-methyl-9-phenyl-4-[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-phenyl-4-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)phenyl]-1,10-phenanthroline
• SMILES: Cc1cc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccn4)n3)cc2)c2ccc3ccc(-c4ccccc4)nc3c2n1.Cc1cc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccn4)n3)cc2)c2ccc3ccc(-c4ccccc4)nc3c2n1
• InChI: InChI=1S/2C40H27N5/c1-26-24-33(32-21-19-30-20-22-34(28-10-4-2-5-11-28)43-38(30)39(32)42-26)27-15-17-31(18-16-27)40-44-36(29-12-6-3-7-13-29)25-37(45-40)35-14-8-9-23-41-35;1-26-24-33(32-21-19-31-20-22-34(28-10-4-2-5-11-28)43-38(31)39(32)42-26)27-15-17-30(18-16-27)37-25-36(29-12-6-3-7-13-29)44-40(45-37)35-14-8-9-23-41-35/h2*2-25H,1H3
• InChIKey: LKAQGDLTSAHSSL-UHFFFAOYSA-N
• XLogP: 19.22
• TPSA: 128.90 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1155.38
LogP ≤ 5	19.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methyl-9-phenyl-4-[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-phenyl-4-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)phenyl]-1,10-phenanthroline?

The IUPAC name of 2-methyl-9-phenyl-4-[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-phenyl-4-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)phenyl]-1,10-phenanthroline (CID 159373587) is 2-methyl-9-phenyl-4-[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-phenyl-4-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)phenyl]-1,10-phenanthroline.

What is the SMILES notation for 2-methyl-9-phenyl-4-[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-phenyl-4-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)phenyl]-1,10-phenanthroline?

The canonical SMILES for 2-methyl-9-phenyl-4-[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-phenyl-4-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)phenyl]-1,10-phenanthroline is Cc1cc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccn4)n3)cc2)c2ccc3ccc(-c4ccccc4)nc3c2n1.Cc1cc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccn4)n3)cc2)c2ccc3ccc(-c4ccccc4)nc3c2n1.

What is the InChIKey of 2-methyl-9-phenyl-4-[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-phenyl-4-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)phenyl]-1,10-phenanthroline?

The InChIKey is LKAQGDLTSAHSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C40H27N5/c1-26-24-33(32-21-19-30-20-22-34(28-10-4-2-5-11-28)43-38(30)39(32)42-26)27-15-17-31(18-16-27)40-44-36(29-12-6-3-7-13-29)25-37(45-40)35-14-8-9-23-41-35;1-26-24-33(32-21-19-31-20-22-34(28-10-4-2-5-11-28)43-38(31)39(32)42-26)27-15-17-30(18-16-27)37-25-36(29-12-6-3-7-13-29)44-40(45-37)35-14-8-9-23-41-35/h2*2-25H,1H3.

What are the key properties of 2-methyl-9-phenyl-4-[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-phenyl-4-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)phenyl]-1,10-phenanthroline?

2-methyl-9-phenyl-4-[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-phenyl-4-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)phenyl]-1,10-phenanthroline has a molecular weight of 1155.38 g/mol, XLogP of 19.22, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-9-phenyl-4-[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-phenyl-4-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)phenyl]-1,10-phenanthroline is sourced from PubChem (CID 159373587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).