1-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]-2,5-diphenyl-2,3-dihydropyrrole

C60H41N — CID 89144264

About 1-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]-2,5-diphenyl-2,3-dihydropyrrole

1-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]-2,5-diphenyl-2,3-dihydropyrrole (PubChem CID 89144264) has the molecular formula C60H41N and a molecular weight of 776.00 g/mol. Its IUPAC name is 1-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]-2,5-diphenyl-2,3-dihydropyrrole.

Molecular Properties

• Compound Name: 1-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]-2,5-diphenyl-2,3-dihydropyrrole
• PubChem CID: 89144264
• Molecular Formula: C60H41N
• Molecular Weight: 776.00 g/mol
• Exact Mass: 775.32
• IUPAC Name: 1-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]-2,5-diphenyl-2,3-dihydropyrrole
• SMILES: C1=C(c2ccccc2)N(c2ccc3cc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)ccc3c2)C(c2ccccc2)C1
• InChI: InChI=1S/C60H41N/c1-3-15-42(16-4-1)57-33-34-58(43-17-5-2-6-18-43)61(57)52-31-29-47-35-46(25-26-48(47)38-52)49-30-32-55-56(39-49)60(51-28-24-41-14-8-10-20-45(41)37-51)54-22-12-11-21-53(54)59(55)50-27-23-40-13-7-9-19-44(40)36-50/h1-33,35-39,58H,34H2
• InChIKey: KSJAHRGHMIYWIQ-UHFFFAOYSA-N
• XLogP: 16.45
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	776.00
LogP ≤ 5	16.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]-2,5-diphenyl-2,3-dihydropyrrole?

The IUPAC name of 1-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]-2,5-diphenyl-2,3-dihydropyrrole (CID 89144264) is 1-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]-2,5-diphenyl-2,3-dihydropyrrole.

What is the SMILES notation for 1-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]-2,5-diphenyl-2,3-dihydropyrrole?

The canonical SMILES for 1-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]-2,5-diphenyl-2,3-dihydropyrrole is C1=C(c2ccccc2)N(c2ccc3cc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)ccc3c2)C(c2ccccc2)C1.

What is the InChIKey of 1-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]-2,5-diphenyl-2,3-dihydropyrrole?

The InChIKey is KSJAHRGHMIYWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N/c1-3-15-42(16-4-1)57-33-34-58(43-17-5-2-6-18-43)61(57)52-31-29-47-35-46(25-26-48(47)38-52)49-30-32-55-56(39-49)60(51-28-24-41-14-8-10-20-45(41)37-51)54-22-12-11-21-53(54)59(55)50-27-23-40-13-7-9-19-44(40)36-50/h1-33,35-39,58H,34H2.

What are the key properties of 1-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]-2,5-diphenyl-2,3-dihydropyrrole?

1-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]-2,5-diphenyl-2,3-dihydropyrrole has a molecular weight of 776.00 g/mol, XLogP of 16.45, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]-2,5-diphenyl-2,3-dihydropyrrole is sourced from PubChem (CID 89144264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).