N-(4-carbazol-9-ylphenyl)-N-phenyl-9-[3-(2-phenyl-1,2,4-oxadiazol-2-ium-5-yl)phenyl]-10-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-1-amine

C66H43N6O2+ — CID 59720385

About N-(4-carbazol-9-ylphenyl)-N-phenyl-9-[3-(2-phenyl-1,2,4-oxadiazol-2-ium-5-yl)phenyl]-10-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-1-amine

N-(4-carbazol-9-ylphenyl)-N-phenyl-9-[3-(2-phenyl-1,2,4-oxadiazol-2-ium-5-yl)phenyl]-10-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-1-amine (PubChem CID 59720385) has the molecular formula C66H43N6O2+ and a molecular weight of 952.11 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-phenyl-9-[3-(2-phenyl-1,2,4-oxadiazol-2-ium-5-yl)phenyl]-10-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-1-amine.

Molecular Properties

• Compound Name: N-(4-carbazol-9-ylphenyl)-N-phenyl-9-[3-(2-phenyl-1,2,4-oxadiazol-2-ium-5-yl)phenyl]-10-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-1-amine
• PubChem CID: 59720385
• Molecular Formula: C66H43N6O2+
• Molecular Weight: 952.11 g/mol
• Exact Mass: 951.34
• IUPAC Name: N-(4-carbazol-9-ylphenyl)-N-phenyl-9-[3-(2-phenyl-1,2,4-oxadiazol-2-ium-5-yl)phenyl]-10-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-1-amine
• SMILES: c1ccc(-c2nnc(-c3cccc(-c4c5ccccc5c(-c5cccc(-c6nc[n+](-c7ccccc7)o6)c5)c5c(N(c6ccccc6)c6ccc(-n7c8ccccc8c8ccccc87)cc6)cccc45)c3)o2)cc1
• InChI: InChI=1S/C66H43N6O2/c1-4-19-44(20-5-1)65-68-69-66(73-65)48-24-16-21-45(41-48)61-55-31-10-11-32-56(55)62(46-22-17-23-47(42-46)64-67-43-70(74-64)49-25-6-2-7-26-49)63-57(61)33-18-36-60(63)71(50-27-8-3-9-28-50)51-37-39-52(40-38-51)72-58-34-14-12-29-53(58)54-30-13-15-35-59(54)72/h1-43H/q+1
• InChIKey: VEGPNVXQJHFUQR-UHFFFAOYSA-N
• XLogP: 16.54
• TPSA: 77.00 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	952.11
LogP ≤ 5	16.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-N-phenyl-9-[3-(2-phenyl-1,2,4-oxadiazol-2-ium-5-yl)phenyl]-10-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-1-amine?

The IUPAC name of N-(4-carbazol-9-ylphenyl)-N-phenyl-9-[3-(2-phenyl-1,2,4-oxadiazol-2-ium-5-yl)phenyl]-10-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-1-amine (CID 59720385) is N-(4-carbazol-9-ylphenyl)-N-phenyl-9-[3-(2-phenyl-1,2,4-oxadiazol-2-ium-5-yl)phenyl]-10-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-1-amine.

What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N-phenyl-9-[3-(2-phenyl-1,2,4-oxadiazol-2-ium-5-yl)phenyl]-10-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-1-amine?

The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N-phenyl-9-[3-(2-phenyl-1,2,4-oxadiazol-2-ium-5-yl)phenyl]-10-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-1-amine is c1ccc(-c2nnc(-c3cccc(-c4c5ccccc5c(-c5cccc(-c6nc[n+](-c7ccccc7)o6)c5)c5c(N(c6ccccc6)c6ccc(-n7c8ccccc8c8ccccc87)cc6)cccc45)c3)o2)cc1.

What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N-phenyl-9-[3-(2-phenyl-1,2,4-oxadiazol-2-ium-5-yl)phenyl]-10-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-1-amine?

The InChIKey is VEGPNVXQJHFUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43N6O2/c1-4-19-44(20-5-1)65-68-69-66(73-65)48-24-16-21-45(41-48)61-55-31-10-11-32-56(55)62(46-22-17-23-47(42-46)64-67-43-70(74-64)49-25-6-2-7-26-49)63-57(61)33-18-36-60(63)71(50-27-8-3-9-28-50)51-37-39-52(40-38-51)72-58-34-14-12-29-53(58)54-30-13-15-35-59(54)72/h1-43H/q+1.

What are the key properties of N-(4-carbazol-9-ylphenyl)-N-phenyl-9-[3-(2-phenyl-1,2,4-oxadiazol-2-ium-5-yl)phenyl]-10-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-1-amine?

N-(4-carbazol-9-ylphenyl)-N-phenyl-9-[3-(2-phenyl-1,2,4-oxadiazol-2-ium-5-yl)phenyl]-10-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-1-amine has a molecular weight of 952.11 g/mol, XLogP of 16.54, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-carbazol-9-ylphenyl)-N-phenyl-9-[3-(2-phenyl-1,2,4-oxadiazol-2-ium-5-yl)phenyl]-10-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-1-amine is sourced from PubChem (CID 59720385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).