2-[4-[3-[10-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-5-phenylphenazin-2-yl]-10-phenylphenazin-5-yl]phenyl]-5-phenyl-1,3,4-oxadiazole

C70H47N9O — CID 129156625

IUPAC2-[4-[3-[10-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-5-phenylphenazin-2-yl]-10-phenylphenazin-5-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3ccc(N4c5ccccc5N(c5ccccc5)c5ccc(-c6ccc7c(c6)N(c6ccc(-c8nnc(-c9ccccc9)n8-c8ccccc8)cc6)c6ccccc6N7c6ccccc6)cc54)cc3)o2)cc1
InChIInChI=1S/C70H47N9O/c1-6-20-48(21-7-1)67-71-72-68(79(67)56-28-14-5-15-29-56)49-34-40-57(41-35-49)77-61-32-18-16-30-59(61)75(54-24-10-3-11-25-54)63-44-38-52(46-65(63)77)53-39-45-64-66(47-53)78(62-33-19-17-31-60(62)76(64)55-26-12-4-13-27-55)58-42-36-51(37-43-58)70-74-73-69(80-70)50-22-8-2-9-23-50/h1-47H
InChIKeyPCADVJUPICLASK-UHFFFAOYSA-N
MW1030.21 g/mol
LogP18.49
Rot. Bonds10

About 2-[4-[3-[10-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-5-phenylphenazin-2-yl]-10-phenylphenazin-5-yl]phenyl]-5-phenyl-1,3,4-oxadiazole

2-[4-[3-[10-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-5-phenylphenazin-2-yl]-10-phenylphenazin-5-yl]phenyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 129156625) has the molecular formula C70H47N9O and a molecular weight of 1030.21 g/mol. Its IUPAC name is 2-[4-[3-[10-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-5-phenylphenazin-2-yl]-10-phenylphenazin-5-yl]phenyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-[3-[10-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-5-phenylphenazin-2-yl]-10-phenylphenazin-5-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID129156625
Molecular FormulaC70H47N9O
Molecular Weight1030.21 g/mol
Exact Mass1029.39
IUPAC Name2-[4-[3-[10-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-5-phenylphenazin-2-yl]-10-phenylphenazin-5-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3ccc(N4c5ccccc5N(c5ccccc5)c5ccc(-c6ccc7c(c6)N(c6ccc(-c8nnc(-c9ccccc9)n8-c8ccccc8)cc6)c6ccccc6N7c6ccccc6)cc54)cc3)o2)cc1
InChIInChI=1S/C70H47N9O/c1-6-20-48(21-7-1)67-71-72-68(79(67)56-28-14-5-15-29-56)49-34-40-57(41-35-49)77-61-32-18-16-30-59(61)75(54-24-10-3-11-25-54)63-44-38-52(46-65(63)77)53-39-45-64-66(47-53)78(62-33-19-17-31-60(62)76(64)55-26-12-4-13-27-55)58-42-36-51(37-43-58)70-74-73-69(80-70)50-22-8-2-9-23-50/h1-47H
InChIKeyPCADVJUPICLASK-UHFFFAOYSA-N
XLogP18.49
TPSA82.59 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001030.21
LogP ≤ 518.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-[4-[3-[10-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-5-phenylphenazin-2-yl]-10-phenylphenazin-5-yl]phenyl]-5-phenyl-1,3,4-oxadiazole with MolForge

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Related Compounds

2-phenyl-5-[4-[3-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,2,4-triazol-4-yl]phenyl]-1,3,4-oxadiazole
CID 58692859
5-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-10-phenylphenazine
CID 118898296
4-[10-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenoxazin-4-yl]-10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine
CID 146530417
2,7-bis(10-phenylphenazin-5-yl)-9H-thioxanthene 10,10-dioxide;2,6-bis[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anthracene-9,10-dione;5-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-10-phenylphenazine;2-phenyl-5-[4-(10-phenylphenazin-5-yl)phenyl]-1,3,4-oxadiazole
CID 160776004
2-phenyl-5-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-1,3,4-oxadiazole
CID 59489385
2-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-(4-ethylphenyl)-5-(4-phenylphenyl)-1,2,4-triazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole
CID 157458511
9-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole
CID 59844937
2,5-bis[4-(10-phenylbenzo[b][1,4]benzazaborinin-5-yl)phenyl]-1,3,4-oxadiazole
CID 162263168
2-[4-[6-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 59500817
2-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-5-naphthalen-2-yl-1,3,4-oxadiazole
CID 59445214
2-phenyl-5-[3-[3-(10-phenylspiro[acridine-9,2'-adamantane]-3-yl)phenyl]phenyl]-1,3,4-oxadiazole
CID 166018027
3-[4-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenyl]-4,5-diphenyl-1,2,4-triazole;3-(4-methylphenyl)-5-[3-[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]-4-phenyl-1,2,4-triazole
CID 91109900

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[10-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-5-phenylphenazin-2-yl]-10-phenylphenazin-5-yl]phenyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[4-[3-[10-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-5-phenylphenazin-2-yl]-10-phenylphenazin-5-yl]phenyl]-5-phenyl-1,3,4-oxadiazole (CID 129156625) is 2-[4-[3-[10-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-5-phenylphenazin-2-yl]-10-phenylphenazin-5-yl]phenyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-[3-[10-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-5-phenylphenazin-2-yl]-10-phenylphenazin-5-yl]phenyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-[3-[10-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-5-phenylphenazin-2-yl]-10-phenylphenazin-5-yl]phenyl]-5-phenyl-1,3,4-oxadiazole is c1ccc(-c2nnc(-c3ccc(N4c5ccccc5N(c5ccccc5)c5ccc(-c6ccc7c(c6)N(c6ccc(-c8nnc(-c9ccccc9)n8-c8ccccc8)cc6)c6ccccc6N7c6ccccc6)cc54)cc3)o2)cc1.
What is the InChIKey of 2-[4-[3-[10-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-5-phenylphenazin-2-yl]-10-phenylphenazin-5-yl]phenyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is PCADVJUPICLASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H47N9O/c1-6-20-48(21-7-1)67-71-72-68(79(67)56-28-14-5-15-29-56)49-34-40-57(41-35-49)77-61-32-18-16-30-59(61)75(54-24-10-3-11-25-54)63-44-38-52(46-65(63)77)53-39-45-64-66(47-53)78(62-33-19-17-31-60(62)76(64)55-26-12-4-13-27-55)58-42-36-51(37-43-58)70-74-73-69(80-70)50-22-8-2-9-23-50/h1-47H.
What are the key properties of 2-[4-[3-[10-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-5-phenylphenazin-2-yl]-10-phenylphenazin-5-yl]phenyl]-5-phenyl-1,3,4-oxadiazole?
2-[4-[3-[10-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-5-phenylphenazin-2-yl]-10-phenylphenazin-5-yl]phenyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 1030.21 g/mol, XLogP of 18.49, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[10-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-5-phenylphenazin-2-yl]-10-phenylphenazin-5-yl]phenyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 129156625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).