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-2-amine

C66H43N6O2+ — CID 59720384

IUPACN-(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-2-amine
SMILESc1ccc(-c2nnc(-c3cccc(-c4c5ccccc5c(-c5cccc(-c6nc[n+](-c7ccccc7)o6)c5)c5cc(N(c6ccccc6)c6ccc(-n7c8ccccc8c8ccccc87)cc6)ccc45)c3)o2)cc1
InChIInChI=1S/C66H43N6O2/c1-4-18-44(19-5-1)65-68-69-66(73-65)48-23-17-20-45(41-48)62-56-30-10-11-31-57(56)63(46-21-16-22-47(40-46)64-67-43-70(74-64)49-24-6-2-7-25-49)59-42-53(38-39-58(59)62)71(50-26-8-3-9-27-50)51-34-36-52(37-35-51)72-60-32-14-12-28-54(60)55-29-13-15-33-61(55)72/h1-43H/q+1
InChIKeyNHBHNSNBYUXAQL-UHFFFAOYSA-N
MW952.11 g/mol
LogP16.54
Rot. Bonds10

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-2-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-2-amine (PubChem CID 59720384) 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-2-amine.

Molecular Properties

Compound NameN-(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-2-amine
PubChem CID59720384
Molecular FormulaC66H43N6O2+
Molecular Weight952.11 g/mol
Exact Mass951.34
IUPAC NameN-(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-2-amine
SMILESc1ccc(-c2nnc(-c3cccc(-c4c5ccccc5c(-c5cccc(-c6nc[n+](-c7ccccc7)o6)c5)c5cc(N(c6ccccc6)c6ccc(-n7c8ccccc8c8ccccc87)cc6)ccc45)c3)o2)cc1
InChIInChI=1S/C66H43N6O2/c1-4-18-44(19-5-1)65-68-69-66(73-65)48-23-17-20-45(41-48)62-56-30-10-11-31-57(56)63(46-21-16-22-47(40-46)64-67-43-70(74-64)49-24-6-2-7-25-49)59-42-53(38-39-58(59)62)71(50-26-8-3-9-27-50)51-34-36-52(37-35-51)72-60-32-14-12-28-54(60)55-29-13-15-33-61(55)72/h1-43H/q+1
InChIKeyNHBHNSNBYUXAQL-UHFFFAOYSA-N
XLogP16.54
TPSA77.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500952.11
LogP ≤ 516.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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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-2-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-2-amine (CID 59720384) 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-2-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-2-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-2-amine is c1ccc(-c2nnc(-c3cccc(-c4c5ccccc5c(-c5cccc(-c6nc[n+](-c7ccccc7)o6)c5)c5cc(N(c6ccccc6)c6ccc(-n7c8ccccc8c8ccccc87)cc6)ccc45)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-2-amine?
The InChIKey is NHBHNSNBYUXAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43N6O2/c1-4-18-44(19-5-1)65-68-69-66(73-65)48-23-17-20-45(41-48)62-56-30-10-11-31-57(56)63(46-21-16-22-47(40-46)64-67-43-70(74-64)49-24-6-2-7-25-49)59-42-53(38-39-58(59)62)71(50-26-8-3-9-27-50)51-34-36-52(37-35-51)72-60-32-14-12-28-54(60)55-29-13-15-33-61(55)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-2-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-2-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-2-amine is sourced from PubChem (CID 59720384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).