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

C92H62N10 — CID 160808209

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

2-methyl-9-phenyl-4-[4-[4-(4-phenyl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenyl]-1,10-phenanthroline;2-methyl-9-phenyl-4-[4-[4-(6-phenyl-2-pyridin-4-ylpyrimidin-4-yl)phenyl]phenyl]-1,10-phenanthroline (PubChem CID 160808209) has the molecular formula C92H62N10 and a molecular weight of 1307.58 g/mol. Its IUPAC name is 2-methyl-9-phenyl-4-[4-[4-(4-phenyl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenyl]-1,10-phenanthroline;2-methyl-9-phenyl-4-[4-[4-(6-phenyl-2-pyridin-4-ylpyrimidin-4-yl)phenyl]phenyl]-1,10-phenanthroline.

Molecular Properties

• Compound Name: 2-methyl-9-phenyl-4-[4-[4-(4-phenyl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenyl]-1,10-phenanthroline;2-methyl-9-phenyl-4-[4-[4-(6-phenyl-2-pyridin-4-ylpyrimidin-4-yl)phenyl]phenyl]-1,10-phenanthroline
• PubChem CID: 160808209
• Molecular Formula: C92H62N10
• Molecular Weight: 1307.58 g/mol
• Exact Mass: 1306.52
• IUPAC Name: 2-methyl-9-phenyl-4-[4-[4-(4-phenyl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenyl]-1,10-phenanthroline;2-methyl-9-phenyl-4-[4-[4-(6-phenyl-2-pyridin-4-ylpyrimidin-4-yl)phenyl]phenyl]-1,10-phenanthroline
• SMILES: Cc1cc(-c2ccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccncc5)n4)cc3)cc2)c2ccc3ccc(-c4ccccc4)nc3c2n1.Cc1cc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)cc(-c5cccnc5)n4)cc3)cc2)c2ccc3ccc(-c4ccccc4)nc3c2n1
• InChI: InChI=1S/2C46H31N5/c1-30-27-40(39-24-22-36-23-25-41(34-9-4-2-5-10-34)49-44(36)45(39)48-30)33-18-14-31(15-19-33)32-16-20-37(21-17-32)46-50-42(35-11-6-3-7-12-35)28-43(51-46)38-13-8-26-47-29-38;1-30-28-40(39-22-20-37-21-23-41(34-8-4-2-5-9-34)49-44(37)45(39)48-30)33-16-12-31(13-17-33)32-14-18-36(19-15-32)43-29-42(35-10-6-3-7-11-35)50-46(51-43)38-24-26-47-27-25-38/h2*2-29H,1H3
• InChIKey: SDYXXBGZLRVGMF-UHFFFAOYSA-N
• XLogP: 22.56
• TPSA: 128.90 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1307.58
LogP ≤ 5	22.56
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-(4-phenyl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenyl]-1,10-phenanthroline;2-methyl-9-phenyl-4-[4-[4-(6-phenyl-2-pyridin-4-ylpyrimidin-4-yl)phenyl]phenyl]-1,10-phenanthroline?

The IUPAC name of 2-methyl-9-phenyl-4-[4-[4-(4-phenyl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenyl]-1,10-phenanthroline;2-methyl-9-phenyl-4-[4-[4-(6-phenyl-2-pyridin-4-ylpyrimidin-4-yl)phenyl]phenyl]-1,10-phenanthroline (CID 160808209) is 2-methyl-9-phenyl-4-[4-[4-(4-phenyl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenyl]-1,10-phenanthroline;2-methyl-9-phenyl-4-[4-[4-(6-phenyl-2-pyridin-4-ylpyrimidin-4-yl)phenyl]phenyl]-1,10-phenanthroline.

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

The canonical SMILES for 2-methyl-9-phenyl-4-[4-[4-(4-phenyl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenyl]-1,10-phenanthroline;2-methyl-9-phenyl-4-[4-[4-(6-phenyl-2-pyridin-4-ylpyrimidin-4-yl)phenyl]phenyl]-1,10-phenanthroline is Cc1cc(-c2ccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccncc5)n4)cc3)cc2)c2ccc3ccc(-c4ccccc4)nc3c2n1.Cc1cc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)cc(-c5cccnc5)n4)cc3)cc2)c2ccc3ccc(-c4ccccc4)nc3c2n1.

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

The InChIKey is SDYXXBGZLRVGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C46H31N5/c1-30-27-40(39-24-22-36-23-25-41(34-9-4-2-5-10-34)49-44(36)45(39)48-30)33-18-14-31(15-19-33)32-16-20-37(21-17-32)46-50-42(35-11-6-3-7-12-35)28-43(51-46)38-13-8-26-47-29-38;1-30-28-40(39-22-20-37-21-23-41(34-8-4-2-5-9-34)49-44(37)45(39)48-30)33-16-12-31(13-17-33)32-14-18-36(19-15-32)43-29-42(35-10-6-3-7-11-35)50-46(51-43)38-24-26-47-27-25-38/h2*2-29H,1H3.

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

2-methyl-9-phenyl-4-[4-[4-(4-phenyl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenyl]-1,10-phenanthroline;2-methyl-9-phenyl-4-[4-[4-(6-phenyl-2-pyridin-4-ylpyrimidin-4-yl)phenyl]phenyl]-1,10-phenanthroline has a molecular weight of 1307.58 g/mol, XLogP of 22.56, 12 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-(4-phenyl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenyl]-1,10-phenanthroline;2-methyl-9-phenyl-4-[4-[4-(6-phenyl-2-pyridin-4-ylpyrimidin-4-yl)phenyl]phenyl]-1,10-phenanthroline is sourced from PubChem (CID 160808209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).