6-naphthalen-1-yl-2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]imidazo[1,2-a]pyridine;tri(quinolin-8-yloxy)alumane

C74H48AlN5O3 — CID 159136268

About 6-naphthalen-1-yl-2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]imidazo[1,2-a]pyridine;tri(quinolin-8-yloxy)alumane

6-naphthalen-1-yl-2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]imidazo[1,2-a]pyridine;tri(quinolin-8-yloxy)alumane (PubChem CID 159136268) has the molecular formula C74H48AlN5O3 and a molecular weight of 1082.21 g/mol. Its IUPAC name is 6-naphthalen-1-yl-2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]imidazo[1,2-a]pyridine;tri(quinolin-8-yloxy)alumane.

Molecular Properties

• Compound Name: 6-naphthalen-1-yl-2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]imidazo[1,2-a]pyridine;tri(quinolin-8-yloxy)alumane
• PubChem CID: 159136268
• Molecular Formula: C74H48AlN5O3
• Molecular Weight: 1082.21 g/mol
• Exact Mass: 1081.36
• IUPAC Name: 6-naphthalen-1-yl-2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]imidazo[1,2-a]pyridine;tri(quinolin-8-yloxy)alumane
• SMILES: c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5cn6cc(-c7cccc8ccccc78)ccc6n5)cc4)c4ccccc34)ccc2c1.c1cnc2c(O[Al](Oc3cccc4cccnc34)Oc3cccc4cccnc34)cccc2c1
• InChI: InChI=1S/C47H30N2.3C9H7NO.Al/c1-2-12-35-28-36(25-20-31(35)10-1)47-42-17-7-5-15-40(42)46(41-16-6-8-18-43(41)47)34-23-21-33(22-24-34)44-30-49-29-37(26-27-45(49)48-44)39-19-9-13-32-11-3-4-14-38(32)39;3*11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-30H;3*1-6,11H;/q;;;;+3/p-3
• InChIKey: KHNMZPTVRPDGGR-UHFFFAOYSA-K
• XLogP: 18.47
• TPSA: 83.66 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1082.21
LogP ≤ 5	18.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-1-yl-2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]imidazo[1,2-a]pyridine;tri(quinolin-8-yloxy)alumane?

The IUPAC name of 6-naphthalen-1-yl-2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]imidazo[1,2-a]pyridine;tri(quinolin-8-yloxy)alumane (CID 159136268) is 6-naphthalen-1-yl-2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]imidazo[1,2-a]pyridine;tri(quinolin-8-yloxy)alumane.

What is the SMILES notation for 6-naphthalen-1-yl-2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]imidazo[1,2-a]pyridine;tri(quinolin-8-yloxy)alumane?

The canonical SMILES for 6-naphthalen-1-yl-2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]imidazo[1,2-a]pyridine;tri(quinolin-8-yloxy)alumane is c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5cn6cc(-c7cccc8ccccc78)ccc6n5)cc4)c4ccccc34)ccc2c1.c1cnc2c(O[Al](Oc3cccc4cccnc34)Oc3cccc4cccnc34)cccc2c1.

What is the InChIKey of 6-naphthalen-1-yl-2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]imidazo[1,2-a]pyridine;tri(quinolin-8-yloxy)alumane?

The InChIKey is KHNMZPTVRPDGGR-UHFFFAOYSA-K. The full InChI is InChI=1S/C47H30N2.3C9H7NO.Al/c1-2-12-35-28-36(25-20-31(35)10-1)47-42-17-7-5-15-40(42)46(41-16-6-8-18-43(41)47)34-23-21-33(22-24-34)44-30-49-29-37(26-27-45(49)48-44)39-19-9-13-32-11-3-4-14-38(32)39;3*11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-30H;3*1-6,11H;/q;;;;+3/p-3.

What are the key properties of 6-naphthalen-1-yl-2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]imidazo[1,2-a]pyridine;tri(quinolin-8-yloxy)alumane?

6-naphthalen-1-yl-2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]imidazo[1,2-a]pyridine;tri(quinolin-8-yloxy)alumane has a molecular weight of 1082.21 g/mol, XLogP of 18.47, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-naphthalen-1-yl-2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]imidazo[1,2-a]pyridine;tri(quinolin-8-yloxy)alumane is sourced from PubChem (CID 159136268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).