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

C76H56N12 — CID 91109900

IUPAC3-[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
SMILESCc1ccc(-c2nnc(-c3cccc(-c4nnc(-c5ccc(C)cc5)n4-c4ccccc4)c3)n2-c2ccccc2)cc1.c1ccc(-c2nnc(-c3ccc(-c4ccc(-c5nnc(-c6ccccc6)n5-c5ccccc5)cc4)cc3)n2-c2ccccc2)cc1
InChIInChI=1S/C40H28N6.C36H28N6/c1-5-13-31(14-6-1)37-41-43-39(45(37)35-17-9-3-10-18-35)33-25-21-29(22-26-33)30-23-27-34(28-24-30)40-44-42-38(32-15-7-2-8-16-32)46(40)36-19-11-4-12-20-36;1-25-16-20-27(21-17-25)33-37-39-35(41(33)31-12-5-3-6-13-31)29-10-9-11-30(24-29)36-40-38-34(28-22-18-26(2)19-23-28)42(36)32-14-7-4-8-15-32/h1-28H;3-24H,1-2H3
InChIKeyNJZBXPXXXNLTQU-UHFFFAOYSA-N
MW1137.37 g/mol
LogP17.32
Rot. Bonds13

About 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

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 (PubChem CID 91109900) has the molecular formula C76H56N12 and a molecular weight of 1137.37 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID91109900
Molecular FormulaC76H56N12
Molecular Weight1137.37 g/mol
Exact Mass1136.48
IUPAC Name3-[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
SMILESCc1ccc(-c2nnc(-c3cccc(-c4nnc(-c5ccc(C)cc5)n4-c4ccccc4)c3)n2-c2ccccc2)cc1.c1ccc(-c2nnc(-c3ccc(-c4ccc(-c5nnc(-c6ccccc6)n5-c5ccccc5)cc4)cc3)n2-c2ccccc2)cc1
InChIInChI=1S/C40H28N6.C36H28N6/c1-5-13-31(14-6-1)37-41-43-39(45(37)35-17-9-3-10-18-35)33-25-21-29(22-26-33)30-23-27-34(28-24-30)40-44-42-38(32-15-7-2-8-16-32)46(40)36-19-11-4-12-20-36;1-25-16-20-27(21-17-25)33-37-39-35(41(33)31-12-5-3-6-13-31)29-10-9-11-30(24-29)36-40-38-34(28-22-18-26(2)19-23-28)42(36)32-14-7-4-8-15-32/h1-28H;3-24H,1-2H3
InChIKeyNJZBXPXXXNLTQU-UHFFFAOYSA-N
XLogP17.32
TPSA122.84 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001137.37
LogP ≤ 517.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(-c2nnc(-c3cccc(-c4nnc(-c5ccc(C)cc5)n4-c4ccccc4)c3)n2-c2ccccc2)cc1.c1ccc(-c2nnc(-c3ccc(-c4ccc(-c5nnc(-c6ccccc6)n5-c5ccccc5)cc4)cc3)n2-c2ccccc2)cc1.
What is the InChIKey of 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?
The InChIKey is NJZBXPXXXNLTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28N6.C36H28N6/c1-5-13-31(14-6-1)37-41-43-39(45(37)35-17-9-3-10-18-35)33-25-21-29(22-26-33)30-23-27-34(28-24-30)40-44-42-38(32-15-7-2-8-16-32)46(40)36-19-11-4-12-20-36;1-25-16-20-27(21-17-25)33-37-39-35(41(33)31-12-5-3-6-13-31)29-10-9-11-30(24-29)36-40-38-34(28-22-18-26(2)19-23-28)42(36)32-14-7-4-8-15-32/h1-28H;3-24H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1137.37 g/mol, XLogP of 17.32, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 91109900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).