3,4-diphenyl-5-(4-phenylphenyl)-1,2,4-triazole;10-methyl-9H-acridine;9-(4-methylphenyl)carbazole;2-(4-methylphenyl)-5-naphthalen-1-yl-1,3,4-oxadiazole

C78H61N7O — CID 158800697

IUPAC3,4-diphenyl-5-(4-phenylphenyl)-1,2,4-triazole;10-methyl-9H-acridine;9-(4-methylphenyl)carbazole;2-(4-methylphenyl)-5-naphthalen-1-yl-1,3,4-oxadiazole
SMILESCN1c2ccccc2Cc2ccccc21.Cc1ccc(-c2nnc(-c3cccc4ccccc34)o2)cc1.Cc1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(-c2ccc(-c3nnc(-c4ccccc4)n3-c3ccccc3)cc2)cc1
InChIInChI=1S/C26H19N3.C19H14N2O.C19H15N.C14H13N/c1-4-10-20(11-5-1)21-16-18-23(19-17-21)26-28-27-25(22-12-6-2-7-13-22)29(26)24-14-8-3-9-15-24;1-13-9-11-15(12-10-13)18-20-21-19(22-18)17-8-4-6-14-5-2-3-7-16(14)17;1-14-10-12-15(13-11-14)20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20;1-15-13-8-4-2-6-11(13)10-12-7-3-5-9-14(12)15/h1-19H;2-12H,1H3;2-13H,1H3;2-9H,10H2,1H3
InChIKeyITLGLNQARQRFBO-UHFFFAOYSA-N
MW1112.39 g/mol
LogP19.58
Rot. Bonds7

About 3,4-diphenyl-5-(4-phenylphenyl)-1,2,4-triazole;10-methyl-9H-acridine;9-(4-methylphenyl)carbazole;2-(4-methylphenyl)-5-naphthalen-1-yl-1,3,4-oxadiazole

3,4-diphenyl-5-(4-phenylphenyl)-1,2,4-triazole;10-methyl-9H-acridine;9-(4-methylphenyl)carbazole;2-(4-methylphenyl)-5-naphthalen-1-yl-1,3,4-oxadiazole (PubChem CID 158800697) has the molecular formula C78H61N7O and a molecular weight of 1112.39 g/mol. Its IUPAC name is 3,4-diphenyl-5-(4-phenylphenyl)-1,2,4-triazole;10-methyl-9H-acridine;9-(4-methylphenyl)carbazole;2-(4-methylphenyl)-5-naphthalen-1-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name3,4-diphenyl-5-(4-phenylphenyl)-1,2,4-triazole;10-methyl-9H-acridine;9-(4-methylphenyl)carbazole;2-(4-methylphenyl)-5-naphthalen-1-yl-1,3,4-oxadiazole
PubChem CID158800697
Molecular FormulaC78H61N7O
Molecular Weight1112.39 g/mol
Exact Mass1111.49
IUPAC Name3,4-diphenyl-5-(4-phenylphenyl)-1,2,4-triazole;10-methyl-9H-acridine;9-(4-methylphenyl)carbazole;2-(4-methylphenyl)-5-naphthalen-1-yl-1,3,4-oxadiazole
SMILESCN1c2ccccc2Cc2ccccc21.Cc1ccc(-c2nnc(-c3cccc4ccccc34)o2)cc1.Cc1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(-c2ccc(-c3nnc(-c4ccccc4)n3-c3ccccc3)cc2)cc1
InChIInChI=1S/C26H19N3.C19H14N2O.C19H15N.C14H13N/c1-4-10-20(11-5-1)21-16-18-23(19-17-21)26-28-27-25(22-12-6-2-7-13-22)29(26)24-14-8-3-9-15-24;1-13-9-11-15(12-10-13)18-20-21-19(22-18)17-8-4-6-14-5-2-3-7-16(14)17;1-14-10-12-15(13-11-14)20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20;1-15-13-8-4-2-6-11(13)10-12-7-3-5-9-14(12)15/h1-19H;2-12H,1H3;2-13H,1H3;2-9H,10H2,1H3
InChIKeyITLGLNQARQRFBO-UHFFFAOYSA-N
XLogP19.58
TPSA77.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001112.39
LogP ≤ 519.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3,4-diphenyl-5-(4-phenylphenyl)-1,2,4-triazole;10-methyl-9H-acridine;9-(4-methylphenyl)carbazole;2-(4-methylphenyl)-5-naphthalen-1-yl-1,3,4-oxadiazole with MolForge

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Related Compounds

2-[4-[2-[2-[4-[3-(5-Methylcyclohexa-1,3-dien-1-yl)-6-phenylcarbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 163673055
2-[3,5-Bis(3-phenylquinoxalin-2-yl)phenyl]-3-phenylquinoxaline;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;tris(1,1,1-trifluoroethane)
CID 161429827
19-[3,5-Bis(3,4,5-trifluorophenyl)phenyl]-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;19-[3-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;2-phenyl-5-[4-(3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaen-19-yl)phenyl]-1,3,4-oxadiazole
CID 161974417
2,5-Bis[2-(4-carbazol-9-ylphenyl)phenyl]-1,3,4-oxadiazole
CID 102232238
2,5-Bis[2-methyl-4-(9-methylcarbazol-3-yl)phenyl]-1,3,4-oxadiazole
CID 139237924
2,5-Bis[4-(9-ethylcarbazol-3-yl)-2-methylphenyl]-1,3,4-oxadiazole
CID 139237925
2,5-Bis[4-(4-carbazol-9-ylphenyl)-2-methylphenyl]-1,3,4-oxadiazole
CID 139237926
5-(9-ethylcarbazol-3-yl)-N,N-diphenyl-1,3,4-oxadiazol-2-amine
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2-(4-Tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;4-naphthalen-1-yl-3,5-diphenyl-1,2,4-triazole
CID 23079582
2-[4-[4-[9-[4-(4-Carbazol-9-ylphenyl)phenyl]carbazol-3-yl]hexan-2-yl]phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole
CID 23397826
2-[4-[4-[8-Carbazol-9-yl-5-(9-dodecylcarbazol-3-yl)nonan-3-yl]phenyl]phenyl]-5-(4-octylphenyl)-1,3,4-oxadiazole
CID 23522276
2-[4-[4-[8-Carbazol-9-yl-5-(9-dodecylcarbazol-3-yl)nonan-3-yl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 23522277

Frequently Asked Questions

What is the IUPAC name of 3,4-diphenyl-5-(4-phenylphenyl)-1,2,4-triazole;10-methyl-9H-acridine;9-(4-methylphenyl)carbazole;2-(4-methylphenyl)-5-naphthalen-1-yl-1,3,4-oxadiazole?
The IUPAC name of 3,4-diphenyl-5-(4-phenylphenyl)-1,2,4-triazole;10-methyl-9H-acridine;9-(4-methylphenyl)carbazole;2-(4-methylphenyl)-5-naphthalen-1-yl-1,3,4-oxadiazole (CID 158800697) is 3,4-diphenyl-5-(4-phenylphenyl)-1,2,4-triazole;10-methyl-9H-acridine;9-(4-methylphenyl)carbazole;2-(4-methylphenyl)-5-naphthalen-1-yl-1,3,4-oxadiazole.
What is the SMILES notation for 3,4-diphenyl-5-(4-phenylphenyl)-1,2,4-triazole;10-methyl-9H-acridine;9-(4-methylphenyl)carbazole;2-(4-methylphenyl)-5-naphthalen-1-yl-1,3,4-oxadiazole?
The canonical SMILES for 3,4-diphenyl-5-(4-phenylphenyl)-1,2,4-triazole;10-methyl-9H-acridine;9-(4-methylphenyl)carbazole;2-(4-methylphenyl)-5-naphthalen-1-yl-1,3,4-oxadiazole is CN1c2ccccc2Cc2ccccc21.Cc1ccc(-c2nnc(-c3cccc4ccccc34)o2)cc1.Cc1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(-c2ccc(-c3nnc(-c4ccccc4)n3-c3ccccc3)cc2)cc1.
What is the InChIKey of 3,4-diphenyl-5-(4-phenylphenyl)-1,2,4-triazole;10-methyl-9H-acridine;9-(4-methylphenyl)carbazole;2-(4-methylphenyl)-5-naphthalen-1-yl-1,3,4-oxadiazole?
The InChIKey is ITLGLNQARQRFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3.C19H14N2O.C19H15N.C14H13N/c1-4-10-20(11-5-1)21-16-18-23(19-17-21)26-28-27-25(22-12-6-2-7-13-22)29(26)24-14-8-3-9-15-24;1-13-9-11-15(12-10-13)18-20-21-19(22-18)17-8-4-6-14-5-2-3-7-16(14)17;1-14-10-12-15(13-11-14)20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20;1-15-13-8-4-2-6-11(13)10-12-7-3-5-9-14(12)15/h1-19H;2-12H,1H3;2-13H,1H3;2-9H,10H2,1H3.
What are the key properties of 3,4-diphenyl-5-(4-phenylphenyl)-1,2,4-triazole;10-methyl-9H-acridine;9-(4-methylphenyl)carbazole;2-(4-methylphenyl)-5-naphthalen-1-yl-1,3,4-oxadiazole?
3,4-diphenyl-5-(4-phenylphenyl)-1,2,4-triazole;10-methyl-9H-acridine;9-(4-methylphenyl)carbazole;2-(4-methylphenyl)-5-naphthalen-1-yl-1,3,4-oxadiazole has a molecular weight of 1112.39 g/mol, XLogP of 19.58, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diphenyl-5-(4-phenylphenyl)-1,2,4-triazole;10-methyl-9H-acridine;9-(4-methylphenyl)carbazole;2-(4-methylphenyl)-5-naphthalen-1-yl-1,3,4-oxadiazole is sourced from PubChem (CID 158800697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).