4-N-[9,10-bis[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-N-[9,10-bis[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-N-[9,10-bis[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine

C198H132N18O6 — CID 157281283

IUPAC4-N-[9,10-bis[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-N-[9,10-bis[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-N-[9,10-bis[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
SMILESc1ccc(-c2nnc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6nnc(-c7ccccc7)o6)cc5)c5c(N(c6ccccc6)c6ccc(N(c7ccccc7)c7ccccc7)cc6)cccc45)cc3)o2)cc1.c1ccc(-c2nnc(-c3cccc(-c4c5ccccc5c(-c5cccc(-c6nnc(-c7ccccc7)o6)c5)c5c(N(c6ccccc6)c6ccc(N(c7ccccc7)c7ccccc7)cc6)cccc45)c3)o2)cc1.c1ccc(-c2nnc(-c3cccc(-c4c5ccccc5c(-c5cccc(-c6nnc(-c7ccccc7)o6)c5)c5cc(N(c6ccccc6)c6ccc(N(c7ccccc7)c7ccccc7)cc6)ccc45)c3)o2)cc1
InChIInChI=1S/3C66H44N6O2/c1-6-21-45(22-7-1)63-67-69-65(73-63)49-27-18-25-47(43-49)60-56-35-16-17-36-57(56)61(48-26-19-28-50(44-48)66-70-68-64(74-66)46-23-8-2-9-24-46)62-58(60)37-20-38-59(62)72(53-33-14-5-15-34-53)55-41-39-54(40-42-55)71(51-29-10-3-11-30-51)52-31-12-4-13-32-52;1-6-20-45(21-7-1)63-67-69-65(73-63)49-26-18-24-47(42-49)61-57-34-16-17-35-58(57)62(48-25-19-27-50(43-48)66-70-68-64(74-66)46-22-8-2-9-23-46)60-44-56(40-41-59(60)61)72(53-32-14-5-15-33-53)55-38-36-54(37-39-55)71(51-28-10-3-11-29-51)52-30-12-4-13-31-52;1-6-19-47(20-7-1)63-67-69-65(73-63)49-37-33-45(34-38-49)60-56-29-16-17-30-57(56)61(46-35-39-50(40-36-46)66-70-68-64(74-66)48-21-8-2-9-22-48)62-58(60)31-18-32-59(62)72(53-27-14-5-15-28-53)55-43-41-54(42-44-55)71(51-23-10-3-11-24-51)52-25-12-4-13-26-52/h3*1-44H
InChIKeyAZRRCIBROAEPIY-UHFFFAOYSA-N
MW2859.35 g/mol
LogP53.10
Rot. Bonds36

About 4-N-[9,10-bis[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-N-[9,10-bis[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-N-[9,10-bis[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine

4-N-[9,10-bis[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-N-[9,10-bis[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-N-[9,10-bis[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine (PubChem CID 157281283) has the molecular formula C198H132N18O6 and a molecular weight of 2859.35 g/mol. Its IUPAC name is 4-N-[9,10-bis[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-N-[9,10-bis[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-N-[9,10-bis[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[9,10-bis[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-N-[9,10-bis[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-N-[9,10-bis[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
PubChem CID157281283
Molecular FormulaC198H132N18O6
Molecular Weight2859.35 g/mol
Exact Mass2857.06
IUPAC Name4-N-[9,10-bis[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-N-[9,10-bis[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-N-[9,10-bis[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
SMILESc1ccc(-c2nnc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6nnc(-c7ccccc7)o6)cc5)c5c(N(c6ccccc6)c6ccc(N(c7ccccc7)c7ccccc7)cc6)cccc45)cc3)o2)cc1.c1ccc(-c2nnc(-c3cccc(-c4c5ccccc5c(-c5cccc(-c6nnc(-c7ccccc7)o6)c5)c5c(N(c6ccccc6)c6ccc(N(c7ccccc7)c7ccccc7)cc6)cccc45)c3)o2)cc1.c1ccc(-c2nnc(-c3cccc(-c4c5ccccc5c(-c5cccc(-c6nnc(-c7ccccc7)o6)c5)c5cc(N(c6ccccc6)c6ccc(N(c7ccccc7)c7ccccc7)cc6)ccc45)c3)o2)cc1
InChIInChI=1S/3C66H44N6O2/c1-6-21-45(22-7-1)63-67-69-65(73-63)49-27-18-25-47(43-49)60-56-35-16-17-36-57(56)61(48-26-19-28-50(44-48)66-70-68-64(74-66)46-23-8-2-9-24-46)62-58(60)37-20-38-59(62)72(53-33-14-5-15-34-53)55-41-39-54(40-42-55)71(51-29-10-3-11-30-51)52-31-12-4-13-32-52;1-6-20-45(21-7-1)63-67-69-65(73-63)49-26-18-24-47(42-49)61-57-34-16-17-35-58(57)62(48-25-19-27-50(43-48)66-70-68-64(74-66)46-22-8-2-9-23-46)60-44-56(40-41-59(60)61)72(53-32-14-5-15-33-53)55-38-36-54(37-39-55)71(51-28-10-3-11-29-51)52-30-12-4-13-31-52;1-6-19-47(20-7-1)63-67-69-65(73-63)49-37-33-45(34-38-49)60-56-29-16-17-30-57(56)61(46-35-39-50(40-36-46)66-70-68-64(74-66)48-21-8-2-9-22-48)62-58(60)31-18-32-59(62)72(53-27-14-5-15-28-53)55-43-41-54(42-44-55)71(51-23-10-3-11-24-51)52-25-12-4-13-26-52/h3*1-44H
InChIKeyAZRRCIBROAEPIY-UHFFFAOYSA-N
XLogP53.10
TPSA252.96 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds36
Heavy Atoms222
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002859.35
LogP ≤ 553.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 4-N-[9,10-bis[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-N-[9,10-bis[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-N-[9,10-bis[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine with MolForge

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Related Compounds

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-2-amine
CID 158151865
4-N-[9,10-bis(3-phenylphenyl)anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 58184725
1-N,5-N,5-N-triphenyl-1-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]naphthalene-1,5-diamine
CID 58903547
2-N,6-N-di(dibenzofuran-1-yl)-2-N,6-N-diphenyl-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine
CID 89254671
2-N,6-N-dinaphthalen-1-yl-2-N,6-N,9,10-tetraphenylanthracene-2,6-diamine;2-N,2-N,6-N,6-N,9,10-hexakis-phenylanthracene-2,6-diamine
CID 159869915
1-N,1-N,2-N-triphenyl-2-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzene-1,2-diamine
CID 58903757
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
N,9-diphenyl-N-[4-[5-(3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine
CID 58903714
2-N,2-N,6-N,6-N,9,10-hexakis(4-phenylphenyl)anthracene-2,6-diamine
CID 90194161
2-N,6-N-dinaphthalen-1-yl-9,10-dinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine;9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;2-N,6-N,9,10-tetranaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine
CID 157149374
N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]aniline
CID 19808215
2-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 59501428

Frequently Asked Questions

What is the IUPAC name of 4-N-[9,10-bis[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-N-[9,10-bis[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-N-[9,10-bis[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine?
The IUPAC name of 4-N-[9,10-bis[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-N-[9,10-bis[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-N-[9,10-bis[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine (CID 157281283) is 4-N-[9,10-bis[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-N-[9,10-bis[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-N-[9,10-bis[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-[9,10-bis[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-N-[9,10-bis[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-N-[9,10-bis[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine?
The canonical SMILES for 4-N-[9,10-bis[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-N-[9,10-bis[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-N-[9,10-bis[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine is c1ccc(-c2nnc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6nnc(-c7ccccc7)o6)cc5)c5c(N(c6ccccc6)c6ccc(N(c7ccccc7)c7ccccc7)cc6)cccc45)cc3)o2)cc1.c1ccc(-c2nnc(-c3cccc(-c4c5ccccc5c(-c5cccc(-c6nnc(-c7ccccc7)o6)c5)c5c(N(c6ccccc6)c6ccc(N(c7ccccc7)c7ccccc7)cc6)cccc45)c3)o2)cc1.c1ccc(-c2nnc(-c3cccc(-c4c5ccccc5c(-c5cccc(-c6nnc(-c7ccccc7)o6)c5)c5cc(N(c6ccccc6)c6ccc(N(c7ccccc7)c7ccccc7)cc6)ccc45)c3)o2)cc1.
What is the InChIKey of 4-N-[9,10-bis[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-N-[9,10-bis[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-N-[9,10-bis[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine?
The InChIKey is AZRRCIBROAEPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C66H44N6O2/c1-6-21-45(22-7-1)63-67-69-65(73-63)49-27-18-25-47(43-49)60-56-35-16-17-36-57(56)61(48-26-19-28-50(44-48)66-70-68-64(74-66)46-23-8-2-9-24-46)62-58(60)37-20-38-59(62)72(53-33-14-5-15-34-53)55-41-39-54(40-42-55)71(51-29-10-3-11-30-51)52-31-12-4-13-32-52;1-6-20-45(21-7-1)63-67-69-65(73-63)49-26-18-24-47(42-49)61-57-34-16-17-35-58(57)62(48-25-19-27-50(43-48)66-70-68-64(74-66)46-22-8-2-9-23-46)60-44-56(40-41-59(60)61)72(53-32-14-5-15-33-53)55-38-36-54(37-39-55)71(51-28-10-3-11-29-51)52-30-12-4-13-31-52;1-6-19-47(20-7-1)63-67-69-65(73-63)49-37-33-45(34-38-49)60-56-29-16-17-30-57(56)61(46-35-39-50(40-36-46)66-70-68-64(74-66)48-21-8-2-9-22-48)62-58(60)31-18-32-59(62)72(53-27-14-5-15-28-53)55-43-41-54(42-44-55)71(51-23-10-3-11-24-51)52-25-12-4-13-26-52/h3*1-44H.
What are the key properties of 4-N-[9,10-bis[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-N-[9,10-bis[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-N-[9,10-bis[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine?
4-N-[9,10-bis[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-N-[9,10-bis[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-N-[9,10-bis[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine has a molecular weight of 2859.35 g/mol, XLogP of 53.10, 36 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[9,10-bis[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-N-[9,10-bis[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-N-[9,10-bis[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine is sourced from PubChem (CID 157281283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).