12-[3-[4-phenyl-6-(3-phenylbenzene-4-id-1-yl)-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene;uranium(2+)

C47H28N4U — CID 163946403

About 12-[3-[4-phenyl-6-(3-phenylbenzene-4-id-1-yl)-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene;uranium(2+)

12-[3-[4-phenyl-6-(3-phenylbenzene-4-id-1-yl)-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene;uranium(2+) (PubChem CID 163946403) has the molecular formula C47H28N4U and a molecular weight of 886.80 g/mol. Its IUPAC name is 12-[3-[4-phenyl-6-(3-phenylbenzene-4-id-1-yl)-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene;uranium(2+).

Molecular Properties

• Compound Name: 12-[3-[4-phenyl-6-(3-phenylbenzene-4-id-1-yl)-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene;uranium(2+)
• PubChem CID: 163946403
• Molecular Formula: C47H28N4U
• Molecular Weight: 886.80 g/mol
• Exact Mass: 886.28
• IUPAC Name: 12-[3-[4-phenyl-6-(3-phenylbenzene-4-id-1-yl)-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene;uranium(2+)
• SMILES: [U+2].[c-]1ccccc1-c1[c-]ccc(-c2nc(-c3ccccc3)nc(-c3cccc(N4c5cc6ccccc6cc5-c5cccc6cccc4c56)c3)n2)c1
• InChI: InChI=1S/C47H28N4.U/c1-3-13-31(14-4-1)34-21-9-22-37(27-34)46-48-45(33-15-5-2-6-16-33)49-47(50-46)38-23-10-24-39(28-38)51-42-26-12-20-32-19-11-25-40(44(32)42)41-29-35-17-7-8-18-36(35)30-43(41)51;/h1-13,15-20,22-30H;/q-2;+2
• InChIKey: QJSNQCYJASNXTR-UHFFFAOYSA-N
• XLogP: 11.90
• TPSA: 41.91 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	886.80
LogP ≤ 5	11.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 12-[3-[4-phenyl-6-(3-phenylbenzene-4-id-1-yl)-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene;uranium(2+)?

The IUPAC name of 12-[3-[4-phenyl-6-(3-phenylbenzene-4-id-1-yl)-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene;uranium(2+) (CID 163946403) is 12-[3-[4-phenyl-6-(3-phenylbenzene-4-id-1-yl)-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene;uranium(2+).

What is the SMILES notation for 12-[3-[4-phenyl-6-(3-phenylbenzene-4-id-1-yl)-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene;uranium(2+)?

The canonical SMILES for 12-[3-[4-phenyl-6-(3-phenylbenzene-4-id-1-yl)-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene;uranium(2+) is [U+2].[c-]1ccccc1-c1[c-]ccc(-c2nc(-c3ccccc3)nc(-c3cccc(N4c5cc6ccccc6cc5-c5cccc6cccc4c56)c3)n2)c1.

What is the InChIKey of 12-[3-[4-phenyl-6-(3-phenylbenzene-4-id-1-yl)-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene;uranium(2+)?

The InChIKey is QJSNQCYJASNXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N4.U/c1-3-13-31(14-4-1)34-21-9-22-37(27-34)46-48-45(33-15-5-2-6-16-33)49-47(50-46)38-23-10-24-39(28-38)51-42-26-12-20-32-19-11-25-40(44(32)42)41-29-35-17-7-8-18-36(35)30-43(41)51;/h1-13,15-20,22-30H;/q-2;+2.

What are the key properties of 12-[3-[4-phenyl-6-(3-phenylbenzene-4-id-1-yl)-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene;uranium(2+)?

12-[3-[4-phenyl-6-(3-phenylbenzene-4-id-1-yl)-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene;uranium(2+) has a molecular weight of 886.80 g/mol, XLogP of 11.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[3-[4-phenyl-6-(3-phenylbenzene-4-id-1-yl)-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene;uranium(2+) is sourced from PubChem (CID 163946403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).