1,2,5-triphenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]pyrazolo[5,1-a]isoquinoline

C55H36N2 — CID 155159510

About 1,2,5-triphenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]pyrazolo[5,1-a]isoquinoline

1,2,5-triphenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]pyrazolo[5,1-a]isoquinoline (PubChem CID 155159510) has the molecular formula C55H36N2 and a molecular weight of 724.91 g/mol. Its IUPAC name is 1,2,5-triphenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]pyrazolo[5,1-a]isoquinoline.

Molecular Properties

• Compound Name: 1,2,5-triphenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]pyrazolo[5,1-a]isoquinoline
• PubChem CID: 155159510
• Molecular Formula: C55H36N2
• Molecular Weight: 724.91 g/mol
• Exact Mass: 724.29
• IUPAC Name: 1,2,5-triphenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]pyrazolo[5,1-a]isoquinoline
• SMILES: c1ccc(-c2nn3c(-c4ccccc4)c(-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4)c4ccccc4c3c2-c2ccccc2)cc1
• InChI: InChI=1S/C55H36N2/c1-5-19-37(20-6-1)49-43-27-13-15-29-45(43)50(46-30-16-14-28-44(46)49)39-33-35-40(36-34-39)51-47-31-17-18-32-48(47)55-52(38-21-7-2-8-22-38)53(41-23-9-3-10-24-41)56-57(55)54(51)42-25-11-4-12-26-42/h1-36H
• InChIKey: PIMJNQQMDKIUFI-UHFFFAOYSA-N
• XLogP: 14.80
• TPSA: 17.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	724.91
LogP ≤ 5	14.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,2,5-triphenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]pyrazolo[5,1-a]isoquinoline?

The IUPAC name of 1,2,5-triphenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]pyrazolo[5,1-a]isoquinoline (CID 155159510) is 1,2,5-triphenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]pyrazolo[5,1-a]isoquinoline.

What is the SMILES notation for 1,2,5-triphenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]pyrazolo[5,1-a]isoquinoline?

The canonical SMILES for 1,2,5-triphenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]pyrazolo[5,1-a]isoquinoline is c1ccc(-c2nn3c(-c4ccccc4)c(-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4)c4ccccc4c3c2-c2ccccc2)cc1.

What is the InChIKey of 1,2,5-triphenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]pyrazolo[5,1-a]isoquinoline?

The InChIKey is PIMJNQQMDKIUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N2/c1-5-19-37(20-6-1)49-43-27-13-15-29-45(43)50(46-30-16-14-28-44(46)49)39-33-35-40(36-34-39)51-47-31-17-18-32-48(47)55-52(38-21-7-2-8-22-38)53(41-23-9-3-10-24-41)56-57(55)54(51)42-25-11-4-12-26-42/h1-36H.

What are the key properties of 1,2,5-triphenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]pyrazolo[5,1-a]isoquinoline?

1,2,5-triphenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]pyrazolo[5,1-a]isoquinoline has a molecular weight of 724.91 g/mol, XLogP of 14.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,5-triphenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]pyrazolo[5,1-a]isoquinoline is sourced from PubChem (CID 155159510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).