2-[6-[5-[2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazol-5-yl]-2-pyridinyl]-2-pyridinyl]-5-[3-[5-(6-pyridin-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole

C75H46N14O2 — CID 139562159

IUPAC2-[6-[5-[2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazol-5-yl]-2-pyridinyl]-2-pyridinyl]-5-[3-[5-(6-pyridin-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
SMILESc1ccc(-n2c(-c3cc(-c4nc5ccccc5n4-c4ccccc4)cc(-c4nc5cc(-c6ccc(-c7cccc(-c8nnc(-c9cccc(-c%10nnc(-c%11cccc(-c%12ccccn%12)n%11)o%10)c9)o8)n7)nc6)ccc5n4-c4ccccc4)c3)nc3ccccc32)cc1
InChIInChI=1S/C75H46N14O2/c1-4-21-54(22-5-1)87-66-34-12-10-28-61(66)80-69(87)51-42-52(70-81-62-29-11-13-35-67(62)88(70)55-23-6-2-7-24-55)44-53(43-51)71-82-65-45-47(37-39-68(65)89(71)56-25-8-3-9-26-56)50-36-38-58(77-46-50)60-31-18-33-64(79-60)75-86-84-73(91-75)49-20-16-19-48(41-49)72-83-85-74(90-72)63-32-17-30-59(78-63)57-27-14-15-40-76-57/h1-46H
InChIKeyVJGKTUXTPPYADA-UHFFFAOYSA-N
MW1175.29 g/mol
LogP16.72
Rot. Bonds13

About 2-[6-[5-[2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazol-5-yl]-2-pyridinyl]-2-pyridinyl]-5-[3-[5-(6-pyridin-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole

2-[6-[5-[2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazol-5-yl]-2-pyridinyl]-2-pyridinyl]-5-[3-[5-(6-pyridin-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole (PubChem CID 139562159) has the molecular formula C75H46N14O2 and a molecular weight of 1175.29 g/mol. Its IUPAC name is 2-[6-[5-[2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazol-5-yl]-2-pyridinyl]-2-pyridinyl]-5-[3-[5-(6-pyridin-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[6-[5-[2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazol-5-yl]-2-pyridinyl]-2-pyridinyl]-5-[3-[5-(6-pyridin-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
PubChem CID139562159
Molecular FormulaC75H46N14O2
Molecular Weight1175.29 g/mol
Exact Mass1174.39
IUPAC Name2-[6-[5-[2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazol-5-yl]-2-pyridinyl]-2-pyridinyl]-5-[3-[5-(6-pyridin-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
SMILESc1ccc(-n2c(-c3cc(-c4nc5ccccc5n4-c4ccccc4)cc(-c4nc5cc(-c6ccc(-c7cccc(-c8nnc(-c9cccc(-c%10nnc(-c%11cccc(-c%12ccccn%12)n%11)o%10)c9)o8)n7)nc6)ccc5n4-c4ccccc4)c3)nc3ccccc32)cc1
InChIInChI=1S/C75H46N14O2/c1-4-21-54(22-5-1)87-66-34-12-10-28-61(66)80-69(87)51-42-52(70-81-62-29-11-13-35-67(62)88(70)55-23-6-2-7-24-55)44-53(43-51)71-82-65-45-47(37-39-68(65)89(71)56-25-8-3-9-26-56)50-36-38-58(77-46-50)60-31-18-33-64(79-60)75-86-84-73(91-75)49-20-16-19-48(41-49)72-83-85-74(90-72)63-32-17-30-59(78-63)57-27-14-15-40-76-57/h1-46H
InChIKeyVJGKTUXTPPYADA-UHFFFAOYSA-N
XLogP16.72
TPSA182.86 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001175.29
LogP ≤ 516.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 2-[6-[5-[2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazol-5-yl]-2-pyridinyl]-2-pyridinyl]-5-[3-[5-(6-pyridin-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

16-(4-Imidazo[1,2-a]pyrimidin-2-ylphenyl)-9-phenyl-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene;9-[3-methyl-5-(trifluoromethyl)phenyl]-16-phenyl-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene;2-phenyl-5-(9-phenyl-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-yl)-1,3,4-oxadiazole
CID 158772688
2-[3,5-Bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-[3,5-bis[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]phenyl]-3-phenyl-6-(trifluoromethyl)quinoxaline;2-[3-(trifluoromethyl)phenyl]-5-[4-[tris[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-1,3,4-oxadiazole
CID 159951318
2-[3,5-Bis(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl]-5-naphthalen-1-yl-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;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-1,10-phenanthroline;2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]propan-2-yl]phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole;4-naphthalen-1-yl-3,5-diphenyl-1,2,4-triazole;9-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]carbazole
CID 160130312
CID 161363274
CID 161363274
2-[3-[3-(1-Phenylbenzimidazol-2-yl)-5-pyridin-3-ylphenyl]-5-pyridin-3-ylphenyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 58480114
2-[9-[3-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-[9-[3-(4-phenyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3,4-oxadiazole
CID 126609081
2-[9-(3,5-Diphenylphenyl)carbazol-3-yl]-5-[9-(3,5-diphenylphenyl)carbazol-4-yl]-1,3,4-oxadiazole;2-(9-phenylcarbazol-3-yl)-5-(9-phenylcarbazol-4-yl)-1,3,4-oxadiazole;2-[9-(3-phenylphenyl)carbazol-3-yl]-5-[9-(3-phenylphenyl)carbazol-4-yl]-1,3,4-oxadiazole;2-[9-(6-phenyl-2-pyridinyl)carbazol-3-yl]-5-[9-(6-phenyl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole;2-(9-pyridin-3-ylcarbazol-3-yl)-5-(9-pyridin-3-ylcarbazol-4-yl)-1,3,4-oxadiazole;2-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole
CID 157093436
2,5-Bis[9-(3,5-diphenylphenyl)carbazol-2-yl]-1,3,4-oxadiazole;2,5-bis[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]-1,3,4-oxadiazole;2,5-bis[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-1,3,4-oxadiazole;2,5-bis[9-(3-phenylphenyl)carbazol-2-yl]-1,3,4-oxadiazole;2,5-bis[9-(6-phenyl-2-pyridinyl)carbazol-2-yl]-1,3,4-oxadiazole;2,5-bis[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-2-yl]-1,3,4-oxadiazole
CID 157099886
2,5-Bis[9-(3,5-diphenylphenyl)carbazol-4-yl]-1,3,4-oxadiazole;2,5-bis[9-(4,6-diphenyl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole;2,5-bis[9-(4,6-diphenylpyrimidin-2-yl)carbazol-4-yl]-1,3,4-oxadiazole;2,5-bis[9-(3-phenylphenyl)carbazol-4-yl]-1,3,4-oxadiazole;2,5-bis[9-(6-phenyl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole;2,5-bis[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole
CID 157167407
2-[3-[2-[1-methyl-6-(1,3-oxazol-2-yl)benzimidazol-2-yl]-1H-carbazol-1-id-9-yl]-5-pyridin-2-ylbenzene-4-id-1-yl]-1,3-oxazole;2-[7-[1-methyl-5-(1,3-oxazol-2-yl)benzimidazol-2-yl]-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-8H-carbazol-8-id-3-yl]-1,3-oxazole;bis(platinum(2+))
CID 157173590
2-[3-([1,3]Oxazolo[5,4-b]pyridin-2-yl)-5-[2,4,5-tris[3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine;3-phenyl-2-[3-(3-phenylimidazo[4,5-b]pyridin-2-yl)-5-[2,4,5-tris[3,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine
CID 157188480
3,11-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis(4-phenyl-2-pyridinyl)-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3,11-bis[4-(5-phenyl-4H-1,2,4-triazol-3-yl)phenyl]-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;3-[4-(1-phenylbenzimidazol-2-yl)phenyl]-11-[4-(1-phenyl-1H-inden-2-yl)phenyl]-2,8,10,16-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene;2-phenyl-5-[4-[11-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaen-3-yl]phenyl]-1,3,4-oxadiazole
CID 157192985

Frequently Asked Questions

What is the IUPAC name of 2-[6-[5-[2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazol-5-yl]-2-pyridinyl]-2-pyridinyl]-5-[3-[5-(6-pyridin-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[6-[5-[2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazol-5-yl]-2-pyridinyl]-2-pyridinyl]-5-[3-[5-(6-pyridin-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole (CID 139562159) is 2-[6-[5-[2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazol-5-yl]-2-pyridinyl]-2-pyridinyl]-5-[3-[5-(6-pyridin-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[6-[5-[2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazol-5-yl]-2-pyridinyl]-2-pyridinyl]-5-[3-[5-(6-pyridin-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[6-[5-[2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazol-5-yl]-2-pyridinyl]-2-pyridinyl]-5-[3-[5-(6-pyridin-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole is c1ccc(-n2c(-c3cc(-c4nc5ccccc5n4-c4ccccc4)cc(-c4nc5cc(-c6ccc(-c7cccc(-c8nnc(-c9cccc(-c%10nnc(-c%11cccc(-c%12ccccn%12)n%11)o%10)c9)o8)n7)nc6)ccc5n4-c4ccccc4)c3)nc3ccccc32)cc1.
What is the InChIKey of 2-[6-[5-[2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazol-5-yl]-2-pyridinyl]-2-pyridinyl]-5-[3-[5-(6-pyridin-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole?
The InChIKey is VJGKTUXTPPYADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H46N14O2/c1-4-21-54(22-5-1)87-66-34-12-10-28-61(66)80-69(87)51-42-52(70-81-62-29-11-13-35-67(62)88(70)55-23-6-2-7-24-55)44-53(43-51)71-82-65-45-47(37-39-68(65)89(71)56-25-8-3-9-26-56)50-36-38-58(77-46-50)60-31-18-33-64(79-60)75-86-84-73(91-75)49-20-16-19-48(41-49)72-83-85-74(90-72)63-32-17-30-59(78-63)57-27-14-15-40-76-57/h1-46H.
What are the key properties of 2-[6-[5-[2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazol-5-yl]-2-pyridinyl]-2-pyridinyl]-5-[3-[5-(6-pyridin-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole?
2-[6-[5-[2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazol-5-yl]-2-pyridinyl]-2-pyridinyl]-5-[3-[5-(6-pyridin-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole has a molecular weight of 1175.29 g/mol, XLogP of 16.72, 13 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[5-[2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazol-5-yl]-2-pyridinyl]-2-pyridinyl]-5-[3-[5-(6-pyridin-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 139562159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).