3-[3,5-bis(2-methylpropyl)phenyl]-5-phenyl-4-(2-phenylphenyl)-1,2,4-triazole

C34H35N3 — CID 131982385

IUPAC3-[3,5-bis(2-methylpropyl)phenyl]-5-phenyl-4-(2-phenylphenyl)-1,2,4-triazole
SMILESCC(C)Cc1cc(CC(C)C)cc(-c2nnc(-c3ccccc3)n2-c2ccccc2-c2ccccc2)c1
InChIInChI=1S/C34H35N3/c1-24(2)19-26-21-27(20-25(3)4)23-30(22-26)34-36-35-33(29-15-9-6-10-16-29)37(34)32-18-12-11-17-31(32)28-13-7-5-8-14-28/h5-18,21-25H,19-20H2,1-4H3
InChIKeyCVBGROZGGWEYGZ-UHFFFAOYSA-N
MW485.68 g/mol
LogP8.67
Rot. Bonds8

About 3-[3,5-bis(2-methylpropyl)phenyl]-5-phenyl-4-(2-phenylphenyl)-1,2,4-triazole

3-[3,5-bis(2-methylpropyl)phenyl]-5-phenyl-4-(2-phenylphenyl)-1,2,4-triazole (PubChem CID 131982385) has the molecular formula C34H35N3 and a molecular weight of 485.68 g/mol. Its IUPAC name is 3-[3,5-bis(2-methylpropyl)phenyl]-5-phenyl-4-(2-phenylphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-[3,5-bis(2-methylpropyl)phenyl]-5-phenyl-4-(2-phenylphenyl)-1,2,4-triazole
PubChem CID131982385
Molecular FormulaC34H35N3
Molecular Weight485.68 g/mol
Exact Mass485.28
IUPAC Name3-[3,5-bis(2-methylpropyl)phenyl]-5-phenyl-4-(2-phenylphenyl)-1,2,4-triazole
SMILESCC(C)Cc1cc(CC(C)C)cc(-c2nnc(-c3ccccc3)n2-c2ccccc2-c2ccccc2)c1
InChIInChI=1S/C34H35N3/c1-24(2)19-26-21-27(20-25(3)4)23-30(22-26)34-36-35-33(29-15-9-6-10-16-29)37(34)32-18-12-11-17-31(32)28-13-7-5-8-14-28/h5-18,21-25H,19-20H2,1-4H3
InChIKeyCVBGROZGGWEYGZ-UHFFFAOYSA-N
XLogP8.67
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.68
LogP ≤ 58.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,5-dimethylphenyl)-4-[4-ethyl-2,6-bis(2-methylpropyl)phenyl]-5-phenyl-1,2,4-triazole
CID 131982359
2,4-ditert-butyl-6-[4-[3-isoquinolin-3-yl-5-(2-methylpropyl)phenyl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol
CID 140831952
4-carbazol-9-yl-2,6-dimethyl-N,N-bis[3-(5-methyl-4-phenyl-2-pyridinyl)-5-(2-methylpropyl)phenyl]aniline
CID 140908719
4-(3-methylnaphthalen-1-yl)-3,5-diphenyl-1,2,4-triazole
CID 144738826
1-[2,6-bis(2-methylpropyl)-3-phenylphenyl]-2-phenylimidazole
CID 58175677
3-(3,5-diphenyl-1,2,4-triazol-4-yl)-2,6-dimethylpyridine
CID 130422868
4-(2-fluorophenyl)-3-methyl-5-phenyl-1,2,4-triazole
CID 50993662
3-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-5-phenyl-1,2,4-triazole
CID 58518663
1-phenylimidazo[1,2-a]quinoline-4,5-dione
CID 162734807
ethane;2-methylpropylbenzene
CID 162200929
4-(2-methylphenyl)-3-[3-[3-[3-[4-(2-methylphenyl)-1,2,4-triazol-3-yl]phenyl]-2-[[3-[4-(2-methylphenyl)-1,2,4-triazol-3-yl]phenyl]methyl]propyl]phenyl]-1,2,4-triazole
CID 58059150
4,4,5,5-tetramethyl-7-(2-methylpropyl)-3-phenylpyrazolo[1,5-a]quinoline
CID 170539444

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-bis(2-methylpropyl)phenyl]-5-phenyl-4-(2-phenylphenyl)-1,2,4-triazole?
The IUPAC name of 3-[3,5-bis(2-methylpropyl)phenyl]-5-phenyl-4-(2-phenylphenyl)-1,2,4-triazole (CID 131982385) is 3-[3,5-bis(2-methylpropyl)phenyl]-5-phenyl-4-(2-phenylphenyl)-1,2,4-triazole.
What is the SMILES notation for 3-[3,5-bis(2-methylpropyl)phenyl]-5-phenyl-4-(2-phenylphenyl)-1,2,4-triazole?
The canonical SMILES for 3-[3,5-bis(2-methylpropyl)phenyl]-5-phenyl-4-(2-phenylphenyl)-1,2,4-triazole is CC(C)Cc1cc(CC(C)C)cc(-c2nnc(-c3ccccc3)n2-c2ccccc2-c2ccccc2)c1.
What is the InChIKey of 3-[3,5-bis(2-methylpropyl)phenyl]-5-phenyl-4-(2-phenylphenyl)-1,2,4-triazole?
The InChIKey is CVBGROZGGWEYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N3/c1-24(2)19-26-21-27(20-25(3)4)23-30(22-26)34-36-35-33(29-15-9-6-10-16-29)37(34)32-18-12-11-17-31(32)28-13-7-5-8-14-28/h5-18,21-25H,19-20H2,1-4H3.
What are the key properties of 3-[3,5-bis(2-methylpropyl)phenyl]-5-phenyl-4-(2-phenylphenyl)-1,2,4-triazole?
3-[3,5-bis(2-methylpropyl)phenyl]-5-phenyl-4-(2-phenylphenyl)-1,2,4-triazole has a molecular weight of 485.68 g/mol, XLogP of 8.67, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-bis(2-methylpropyl)phenyl]-5-phenyl-4-(2-phenylphenyl)-1,2,4-triazole is sourced from PubChem (CID 131982385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).