2,4-dimethyl-9-[3-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]-1,10-phenanthroline;2-ethyl-4-methyl-9-[3-[4-(4-phenyl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenyl]-1,10-phenanthroline

C83H60N10 — CID 158107550

About 2,4-dimethyl-9-[3-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]-1,10-phenanthroline;2-ethyl-4-methyl-9-[3-[4-(4-phenyl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenyl]-1,10-phenanthroline

2,4-dimethyl-9-[3-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]-1,10-phenanthroline;2-ethyl-4-methyl-9-[3-[4-(4-phenyl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenyl]-1,10-phenanthroline (PubChem CID 158107550) has the molecular formula C83H60N10 and a molecular weight of 1197.46 g/mol. Its IUPAC name is 2,4-dimethyl-9-[3-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]-1,10-phenanthroline;2-ethyl-4-methyl-9-[3-[4-(4-phenyl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenyl]-1,10-phenanthroline.

Molecular Properties

• Compound Name: 2,4-dimethyl-9-[3-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]-1,10-phenanthroline;2-ethyl-4-methyl-9-[3-[4-(4-phenyl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenyl]-1,10-phenanthroline
• PubChem CID: 158107550
• Molecular Formula: C83H60N10
• Molecular Weight: 1197.46 g/mol
• Exact Mass: 1196.50
• IUPAC Name: 2,4-dimethyl-9-[3-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]-1,10-phenanthroline;2-ethyl-4-methyl-9-[3-[4-(4-phenyl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenyl]-1,10-phenanthroline
• SMILES: CCc1cc(C)c2ccc3ccc(-c4cccc(-c5ccc(-c6nc(-c7ccccc7)cc(-c7cccnc7)n6)cc5)c4)nc3c2n1.Cc1cc(C)c2ccc3ccc(-c4cccc(-c5ccc(-c6cc(-c7ccccc7)nc(-c7ccccn7)n6)cc5)c4)nc3c2n1
• InChI: InChI=1S/C42H31N5.C41H29N5/c1-3-35-23-27(2)36-20-18-30-19-21-37(45-40(30)41(36)44-35)33-12-7-11-32(24-33)28-14-16-31(17-15-28)42-46-38(29-9-5-4-6-10-29)25-39(47-42)34-13-8-22-43-26-34;1-26-23-27(2)43-40-34(26)20-18-31-19-21-35(44-39(31)40)33-12-8-11-32(24-33)28-14-16-30(17-15-28)38-25-37(29-9-4-3-5-10-29)45-41(46-38)36-13-6-7-22-42-36/h4-26H,3H2,1-2H3;3-25H,1-2H3
• InChIKey: FQAITAUVOOACOX-UHFFFAOYSA-N
• XLogP: 20.09
• TPSA: 128.90 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1197.46
LogP ≤ 5	20.09
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 2,4-dimethyl-9-[3-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]-1,10-phenanthroline;2-ethyl-4-methyl-9-[3-[4-(4-phenyl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenyl]-1,10-phenanthroline?

The IUPAC name of 2,4-dimethyl-9-[3-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]-1,10-phenanthroline;2-ethyl-4-methyl-9-[3-[4-(4-phenyl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenyl]-1,10-phenanthroline (CID 158107550) is 2,4-dimethyl-9-[3-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]-1,10-phenanthroline;2-ethyl-4-methyl-9-[3-[4-(4-phenyl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenyl]-1,10-phenanthroline.

What is the SMILES notation for 2,4-dimethyl-9-[3-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]-1,10-phenanthroline;2-ethyl-4-methyl-9-[3-[4-(4-phenyl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenyl]-1,10-phenanthroline?

The canonical SMILES for 2,4-dimethyl-9-[3-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]-1,10-phenanthroline;2-ethyl-4-methyl-9-[3-[4-(4-phenyl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenyl]-1,10-phenanthroline is CCc1cc(C)c2ccc3ccc(-c4cccc(-c5ccc(-c6nc(-c7ccccc7)cc(-c7cccnc7)n6)cc5)c4)nc3c2n1.Cc1cc(C)c2ccc3ccc(-c4cccc(-c5ccc(-c6cc(-c7ccccc7)nc(-c7ccccn7)n6)cc5)c4)nc3c2n1.

What is the InChIKey of 2,4-dimethyl-9-[3-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]-1,10-phenanthroline;2-ethyl-4-methyl-9-[3-[4-(4-phenyl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenyl]-1,10-phenanthroline?

The InChIKey is FQAITAUVOOACOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H31N5.C41H29N5/c1-3-35-23-27(2)36-20-18-30-19-21-37(45-40(30)41(36)44-35)33-12-7-11-32(24-33)28-14-16-31(17-15-28)42-46-38(29-9-5-4-6-10-29)25-39(47-42)34-13-8-22-43-26-34;1-26-23-27(2)43-40-34(26)20-18-31-19-21-35(44-39(31)40)33-12-8-11-32(24-33)28-14-16-30(17-15-28)38-25-37(29-9-4-3-5-10-29)45-41(46-38)36-13-6-7-22-42-36/h4-26H,3H2,1-2H3;3-25H,1-2H3.

What are the key properties of 2,4-dimethyl-9-[3-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]-1,10-phenanthroline;2-ethyl-4-methyl-9-[3-[4-(4-phenyl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenyl]-1,10-phenanthroline?

2,4-dimethyl-9-[3-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]-1,10-phenanthroline;2-ethyl-4-methyl-9-[3-[4-(4-phenyl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenyl]-1,10-phenanthroline has a molecular weight of 1197.46 g/mol, XLogP of 20.09, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dimethyl-9-[3-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]-1,10-phenanthroline;2-ethyl-4-methyl-9-[3-[4-(4-phenyl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenyl]-1,10-phenanthroline is sourced from PubChem (CID 158107550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).