9-[3-carbazol-9-yl-2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole;deuterium monohydride;3-(2,6-difluorophenyl)-4,5-diphenyl-1,2,4-triazole;2-(2,6-difluorophenyl)-5-phenyl-1,3,4-oxadiazole

C78H52F4N10O — CID 158634222

IUPAC9-[3-carbazol-9-yl-2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole;deuterium monohydride;3-(2,6-difluorophenyl)-4,5-diphenyl-1,2,4-triazole;2-(2,6-difluorophenyl)-5-phenyl-1,3,4-oxadiazole
SMILESFc1cccc(F)c1-c1nnc(-c2ccccc2)n1-c1ccccc1.Fc1cccc(F)c1-c1nnc(-c2ccccc2)o1.[H][2H].c1ccc(-c2nnc(-c3c(-n4c5ccccc5c5ccccc54)cccc3-n3c4ccccc4c4ccccc43)n2-c2ccccc2)cc1
InChIInChI=1S/C44H29N5.C20H13F2N3.C14H8F2N2O.H2/c1-3-16-30(17-4-1)43-45-46-44(47(43)31-18-5-2-6-19-31)42-40(48-36-24-11-7-20-32(36)33-21-8-12-25-37(33)48)28-15-29-41(42)49-38-26-13-9-22-34(38)35-23-10-14-27-39(35)49;21-16-12-7-13-17(22)18(16)20-24-23-19(14-8-3-1-4-9-14)25(20)15-10-5-2-6-11-15;15-10-7-4-8-11(16)12(10)14-18-17-13(19-14)9-5-2-1-3-6-9;/h1-29H;1-13H;1-8H;1H/i;;;1+1
InChIKeyHZOLXRTZJNVDTJ-SGNQUONSSA-N
MW1222.34 g/mol
LogP19.60
Rot. Bonds10

About 9-[3-carbazol-9-yl-2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole;deuterium monohydride;3-(2,6-difluorophenyl)-4,5-diphenyl-1,2,4-triazole;2-(2,6-difluorophenyl)-5-phenyl-1,3,4-oxadiazole

9-[3-carbazol-9-yl-2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole;deuterium monohydride;3-(2,6-difluorophenyl)-4,5-diphenyl-1,2,4-triazole;2-(2,6-difluorophenyl)-5-phenyl-1,3,4-oxadiazole (PubChem CID 158634222) has the molecular formula C78H52F4N10O and a molecular weight of 1222.34 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole;deuterium monohydride;3-(2,6-difluorophenyl)-4,5-diphenyl-1,2,4-triazole;2-(2,6-difluorophenyl)-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name9-[3-carbazol-9-yl-2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole;deuterium monohydride;3-(2,6-difluorophenyl)-4,5-diphenyl-1,2,4-triazole;2-(2,6-difluorophenyl)-5-phenyl-1,3,4-oxadiazole
PubChem CID158634222
Molecular FormulaC78H52F4N10O
Molecular Weight1222.34 g/mol
Exact Mass1221.43
IUPAC Name9-[3-carbazol-9-yl-2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole;deuterium monohydride;3-(2,6-difluorophenyl)-4,5-diphenyl-1,2,4-triazole;2-(2,6-difluorophenyl)-5-phenyl-1,3,4-oxadiazole
SMILESFc1cccc(F)c1-c1nnc(-c2ccccc2)n1-c1ccccc1.Fc1cccc(F)c1-c1nnc(-c2ccccc2)o1.[H][2H].c1ccc(-c2nnc(-c3c(-n4c5ccccc5c5ccccc54)cccc3-n3c4ccccc4c4ccccc43)n2-c2ccccc2)cc1
InChIInChI=1S/C44H29N5.C20H13F2N3.C14H8F2N2O.H2/c1-3-16-30(17-4-1)43-45-46-44(47(43)31-18-5-2-6-19-31)42-40(48-36-24-11-7-20-32(36)33-21-8-12-25-37(33)48)28-15-29-41(42)49-38-26-13-9-22-34(38)35-23-10-14-27-39(35)49;21-16-12-7-13-17(22)18(16)20-24-23-19(14-8-3-1-4-9-14)25(20)15-10-5-2-6-11-15;15-10-7-4-8-11(16)12(10)14-18-17-13(19-14)9-5-2-1-3-6-9;/h1-29H;1-13H;1-8H;1H/i;;;1+1
InChIKeyHZOLXRTZJNVDTJ-SGNQUONSSA-N
XLogP19.60
TPSA110.20 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001222.34
LogP ≤ 519.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 9-[3-carbazol-9-yl-2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole;deuterium monohydride;3-(2,6-difluorophenyl)-4,5-diphenyl-1,2,4-triazole;2-(2,6-difluorophenyl)-5-phenyl-1,3,4-oxadiazole with MolForge

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Related Compounds

2-[3,5-Di(carbazol-9-yl)phenyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 68023475
2-Methyl-1,5-diphenylpyrrole;2-methyl-3,5-diphenylthiophene;3-methyl-2,5-diphenylthiophene;3-methyl-4,5-diphenyl-1,2,4-triazole;2-methyl-5-phenyl-1,3,4-oxadiazole;2-methyl-5-phenylthiophene;bis(5-methyl-3-phenyl-1-(trifluoromethyl)pyrazole);2-methyl-5-phenyl-1-(trifluoromethyl)pyrrole;3-methyl-5-phenyl-4-(trifluoromethyl)-1,2,4-triazole;2-methyl-1,3,5-triphenylpyrrole
CID 158028348
2-Phenyl-5-[4-[9-(9-phenylcarbazol-3-yl)carbazol-4-yl]carbazol-9-yl]-1,3,4-oxadiazole
CID 68191307
2-[4-[9-(6,9-Diphenylcarbazol-3-yl)carbazol-4-yl]carbazol-9-yl]-5-phenyl-1,3,4-oxadiazole
CID 68191308
2-[3-[4-[3,5-Diphenyl-1-[11-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazol-5-yl]-1,2,4-triazol-1-ium-4-yl]naphthalen-1-yl]-4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 90701212
3-[2-[3,5-Bis(1-phenylbenzimidazol-2-yl)phenyl]-3-phenylbenzimidazol-5-yl]-5-(4-tert-butylphenyl)-2-(4-phenylphenyl)-1,3,4-oxadiazol-3-ium
CID 91284928
9-[3-[4-[4,6-Bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]propyl]-3-butyl-6-methylcarbazole;2-[4-[3-[3-butyl-5-(3-carbazol-9-ylpropyl)phenyl]propyl]phenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 91399752
2-[3-(1-Azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)carbazol-9-yl]-5-phenyl-1,3,4-oxadiazole
CID 118517619
2,5-Bis[9-(4,6-diphenyl-2-pyridinyl)carbazol-1-yl]-1,3,4-oxadiazole
CID 122593710
2,5-Bis[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1,3,4-oxadiazole
CID 122593712
2,5-Bis[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-1,3,4-oxadiazole
CID 122593713
2,5-Bis[9-(4,6-diphenylpyrimidin-2-yl)carbazol-1-yl]-1,3,4-oxadiazole
CID 122593714

Frequently Asked Questions

What is the IUPAC name of 9-[3-carbazol-9-yl-2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole;deuterium monohydride;3-(2,6-difluorophenyl)-4,5-diphenyl-1,2,4-triazole;2-(2,6-difluorophenyl)-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 9-[3-carbazol-9-yl-2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole;deuterium monohydride;3-(2,6-difluorophenyl)-4,5-diphenyl-1,2,4-triazole;2-(2,6-difluorophenyl)-5-phenyl-1,3,4-oxadiazole (CID 158634222) is 9-[3-carbazol-9-yl-2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole;deuterium monohydride;3-(2,6-difluorophenyl)-4,5-diphenyl-1,2,4-triazole;2-(2,6-difluorophenyl)-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 9-[3-carbazol-9-yl-2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole;deuterium monohydride;3-(2,6-difluorophenyl)-4,5-diphenyl-1,2,4-triazole;2-(2,6-difluorophenyl)-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 9-[3-carbazol-9-yl-2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole;deuterium monohydride;3-(2,6-difluorophenyl)-4,5-diphenyl-1,2,4-triazole;2-(2,6-difluorophenyl)-5-phenyl-1,3,4-oxadiazole is Fc1cccc(F)c1-c1nnc(-c2ccccc2)n1-c1ccccc1.Fc1cccc(F)c1-c1nnc(-c2ccccc2)o1.[H][2H].c1ccc(-c2nnc(-c3c(-n4c5ccccc5c5ccccc54)cccc3-n3c4ccccc4c4ccccc43)n2-c2ccccc2)cc1.
What is the InChIKey of 9-[3-carbazol-9-yl-2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole;deuterium monohydride;3-(2,6-difluorophenyl)-4,5-diphenyl-1,2,4-triazole;2-(2,6-difluorophenyl)-5-phenyl-1,3,4-oxadiazole?
The InChIKey is HZOLXRTZJNVDTJ-SGNQUONSSA-N. The full InChI is InChI=1S/C44H29N5.C20H13F2N3.C14H8F2N2O.H2/c1-3-16-30(17-4-1)43-45-46-44(47(43)31-18-5-2-6-19-31)42-40(48-36-24-11-7-20-32(36)33-21-8-12-25-37(33)48)28-15-29-41(42)49-38-26-13-9-22-34(38)35-23-10-14-27-39(35)49;21-16-12-7-13-17(22)18(16)20-24-23-19(14-8-3-1-4-9-14)25(20)15-10-5-2-6-11-15;15-10-7-4-8-11(16)12(10)14-18-17-13(19-14)9-5-2-1-3-6-9;/h1-29H;1-13H;1-8H;1H/i;;;1+1.
What are the key properties of 9-[3-carbazol-9-yl-2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole;deuterium monohydride;3-(2,6-difluorophenyl)-4,5-diphenyl-1,2,4-triazole;2-(2,6-difluorophenyl)-5-phenyl-1,3,4-oxadiazole?
9-[3-carbazol-9-yl-2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole;deuterium monohydride;3-(2,6-difluorophenyl)-4,5-diphenyl-1,2,4-triazole;2-(2,6-difluorophenyl)-5-phenyl-1,3,4-oxadiazole has a molecular weight of 1222.34 g/mol, XLogP of 19.60, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-carbazol-9-yl-2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole;deuterium monohydride;3-(2,6-difluorophenyl)-4,5-diphenyl-1,2,4-triazole;2-(2,6-difluorophenyl)-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 158634222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).