3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzo[f]benzotriazole

C24H17N7 — CID 10835002

IUPAC3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzo[f]benzotriazole
SMILESc1ccc(-c2nn[nH]n2)c(-c2ccc(Cn3nnc4cc5ccccc5cc43)cc2)c1
InChIInChI=1S/C24H17N7/c1-2-6-19-14-23-22(13-18(19)5-1)25-30-31(23)15-16-9-11-17(12-10-16)20-7-3-4-8-21(20)24-26-28-29-27-24/h1-14H,15H2,(H,26,27,28,29)
InChIKeyHPBXSQBLIVKZJP-UHFFFAOYSA-N
MW403.45 g/mol
LogP4.48
Rot. Bonds4

About 3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzo[f]benzotriazole

3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzo[f]benzotriazole (PubChem CID 10835002) has the molecular formula C24H17N7 and a molecular weight of 403.45 g/mol. Its IUPAC name is 3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzo[f]benzotriazole.

Molecular Properties

Compound Name3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzo[f]benzotriazole
PubChem CID10835002
Molecular FormulaC24H17N7
Molecular Weight403.45 g/mol
Exact Mass403.15
IUPAC Name3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzo[f]benzotriazole
SMILESc1ccc(-c2nn[nH]n2)c(-c2ccc(Cn3nnc4cc5ccccc5cc43)cc2)c1
InChIInChI=1S/C24H17N7/c1-2-6-19-14-23-22(13-18(19)5-1)25-30-31(23)15-16-9-11-17(12-10-16)20-7-3-4-8-21(20)24-26-28-29-27-24/h1-14H,15H2,(H,26,27,28,29)
InChIKeyHPBXSQBLIVKZJP-UHFFFAOYSA-N
XLogP4.48
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-[4-[[3,5-di(propan-2-yloxy)-1,2,4-triazol-1-yl]methyl]phenyl]phenyl]-2H-tetrazole
CID 19903871
5-[2-[4-[(3-tert-butyl-5-propyl-1,2,4-triazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 19903434
5-[2-[4-[(5-pentyl-3-propyl-1,2,4-triazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 19903551
5-[2-[4-[(3-propan-2-yl-5-propyl-1,2,4-triazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 19903677
5-[2-[4-[(3,5-dipentyl-1,2,4-triazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 19903608
5-[2-[4-[(5-ethyl-3-pentyl-1,2,4-triazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 19903876
2-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 67942959
N-[5-ethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3,4-thiadiazol-2-ylidene]naphthalene-2-carboxamide
CID 19029548
2-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6H-imidazo[4,5-d]pyridazin-7-one
CID 20604731
5-but-2-enyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazole-3-carbothialdehyde
CID 54181667
5-[2-[4-[(5-butyl-3-methoxy-1,2,4-triazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 19903963
5-[2-[4-[(5-but-2-enyl-3-tert-butyl-1,2,4-triazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 67869483

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzo[f]benzotriazole?
The IUPAC name of 3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzo[f]benzotriazole (CID 10835002) is 3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzo[f]benzotriazole.
What is the SMILES notation for 3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzo[f]benzotriazole?
The canonical SMILES for 3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzo[f]benzotriazole is c1ccc(-c2nn[nH]n2)c(-c2ccc(Cn3nnc4cc5ccccc5cc43)cc2)c1.
What is the InChIKey of 3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzo[f]benzotriazole?
The InChIKey is HPBXSQBLIVKZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N7/c1-2-6-19-14-23-22(13-18(19)5-1)25-30-31(23)15-16-9-11-17(12-10-16)20-7-3-4-8-21(20)24-26-28-29-27-24/h1-14H,15H2,(H,26,27,28,29).
What are the key properties of 3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzo[f]benzotriazole?
3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzo[f]benzotriazole has a molecular weight of 403.45 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzo[f]benzotriazole is sourced from PubChem (CID 10835002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).