2-[3,5-di(phenanthren-9-yl)phenyl]-4-(3-phenylbenzene-4-id-1-yl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;uranium(2+)

C60H36N4U — CID 163908236

About 2-[3,5-di(phenanthren-9-yl)phenyl]-4-(3-phenylbenzene-4-id-1-yl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;uranium(2+)

2-[3,5-di(phenanthren-9-yl)phenyl]-4-(3-phenylbenzene-4-id-1-yl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;uranium(2+) (PubChem CID 163908236) has the molecular formula C60H36N4U and a molecular weight of 1051.01 g/mol. Its IUPAC name is 2-[3,5-di(phenanthren-9-yl)phenyl]-4-(3-phenylbenzene-4-id-1-yl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;uranium(2+).

Molecular Properties

• Compound Name: 2-[3,5-di(phenanthren-9-yl)phenyl]-4-(3-phenylbenzene-4-id-1-yl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;uranium(2+)
• PubChem CID: 163908236
• Molecular Formula: C60H36N4U
• Molecular Weight: 1051.01 g/mol
• Exact Mass: 1050.34
• IUPAC Name: 2-[3,5-di(phenanthren-9-yl)phenyl]-4-(3-phenylbenzene-4-id-1-yl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;uranium(2+)
• SMILES: [U+2].[c-]1ccccc1-c1[c-]ccc(-c2nc(-c3ccc(-c4cccnc4)cc3)nc(-c3cc(-c4cc5ccccc5c5ccccc45)cc(-c4cc5ccccc5c5ccccc45)c3)n2)c1
• InChI: InChI=1S/C60H36N4.U/c1-2-14-39(15-3-1)42-18-12-19-45(32-42)59-62-58(41-29-27-40(28-30-41)46-20-13-31-61-38-46)63-60(64-59)49-34-47(56-36-43-16-4-6-21-50(43)52-23-8-10-25-54(52)56)33-48(35-49)57-37-44-17-5-7-22-51(44)53-24-9-11-26-55(53)57;/h1-14,16-17,19-38H;/q-2;+2
• InChIKey: PJSIRRRQWSFSHQ-UHFFFAOYSA-N
• XLogP: 15.15
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1051.01
LogP ≤ 5	15.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-di(phenanthren-9-yl)phenyl]-4-(3-phenylbenzene-4-id-1-yl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;uranium(2+)?

The IUPAC name of 2-[3,5-di(phenanthren-9-yl)phenyl]-4-(3-phenylbenzene-4-id-1-yl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;uranium(2+) (CID 163908236) is 2-[3,5-di(phenanthren-9-yl)phenyl]-4-(3-phenylbenzene-4-id-1-yl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;uranium(2+).

What is the SMILES notation for 2-[3,5-di(phenanthren-9-yl)phenyl]-4-(3-phenylbenzene-4-id-1-yl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;uranium(2+)?

The canonical SMILES for 2-[3,5-di(phenanthren-9-yl)phenyl]-4-(3-phenylbenzene-4-id-1-yl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;uranium(2+) is [U+2].[c-]1ccccc1-c1[c-]ccc(-c2nc(-c3ccc(-c4cccnc4)cc3)nc(-c3cc(-c4cc5ccccc5c5ccccc45)cc(-c4cc5ccccc5c5ccccc45)c3)n2)c1.

What is the InChIKey of 2-[3,5-di(phenanthren-9-yl)phenyl]-4-(3-phenylbenzene-4-id-1-yl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;uranium(2+)?

The InChIKey is PJSIRRRQWSFSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N4.U/c1-2-14-39(15-3-1)42-18-12-19-45(32-42)59-62-58(41-29-27-40(28-30-41)46-20-13-31-61-38-46)63-60(64-59)49-34-47(56-36-43-16-4-6-21-50(43)52-23-8-10-25-54(52)56)33-48(35-49)57-37-44-17-5-7-22-51(44)53-24-9-11-26-55(53)57;/h1-14,16-17,19-38H;/q-2;+2.

What are the key properties of 2-[3,5-di(phenanthren-9-yl)phenyl]-4-(3-phenylbenzene-4-id-1-yl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;uranium(2+)?

2-[3,5-di(phenanthren-9-yl)phenyl]-4-(3-phenylbenzene-4-id-1-yl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;uranium(2+) has a molecular weight of 1051.01 g/mol, XLogP of 15.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,5-di(phenanthren-9-yl)phenyl]-4-(3-phenylbenzene-4-id-1-yl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;uranium(2+) is sourced from PubChem (CID 163908236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).