4-[2,2-bis[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]-N,N-dimethylaniline

C26H25N9 — CID 2885743

IUPAC4-[2,2-bis[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]-N,N-dimethylaniline
SMILESCc1ccc(-n2nnnc2C(=Cc2ccc(N(C)C)cc2)c2nnnn2-c2ccc(C)cc2)cc1
InChIInChI=1S/C26H25N9/c1-18-5-11-22(12-6-18)34-25(27-29-31-34)24(17-20-9-15-21(16-10-20)33(3)4)26-28-30-32-35(26)23-13-7-19(2)8-14-23/h5-17H,1-4H3
InChIKeyPZUDJZVJDYDDFI-UHFFFAOYSA-N
MW463.55 g/mol
LogP3.91
Rot. Bonds6

About 4-[2,2-bis[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]-N,N-dimethylaniline

4-[2,2-bis[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]-N,N-dimethylaniline (PubChem CID 2885743) has the molecular formula C26H25N9 and a molecular weight of 463.55 g/mol. Its IUPAC name is 4-[2,2-bis[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[2,2-bis[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]-N,N-dimethylaniline
PubChem CID2885743
Molecular FormulaC26H25N9
Molecular Weight463.55 g/mol
Exact Mass463.22
IUPAC Name4-[2,2-bis[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]-N,N-dimethylaniline
SMILESCc1ccc(-n2nnnc2C(=Cc2ccc(N(C)C)cc2)c2nnnn2-c2ccc(C)cc2)cc1
InChIInChI=1S/C26H25N9/c1-18-5-11-22(12-6-18)34-25(27-29-31-34)24(17-20-9-15-21(16-10-20)33(3)4)26-28-30-32-35(26)23-13-7-19(2)8-14-23/h5-17H,1-4H3
InChIKeyPZUDJZVJDYDDFI-UHFFFAOYSA-N
XLogP3.91
TPSA90.44 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.55
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

1H-Tetrazole, 1,5-diphenyl-
CID 139033
5-[Dichloro-[1-(4-methylphenyl)tetrazol-5-yl]methyl]-1-(4-methylphenyl)tetrazole
CID 3090520
5-[Chloro-[1-(4-methylphenyl)tetrazol-5-yl]methyl]-1-(4-methylphenyl)tetrazole
CID 7172585
1-(4-Methylphenyl)-5-(3-methylphenyl)-1,2,3,4-tetraazole
CID 855892
1-(4-methylphenyl)-5-phenyl-1H-tetrazole
CID 3638362
1-(2-Methylphenyl)-5-phenyl-1H-tetrazole
CID 2054464
1-Phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole
CID 3090521
1-(4-Tert-butylphenyl)-5-phenyltetrazole
CID 2732009
Dimethyl-{4-[2-(1-phenyl-1H-tetrazol-5-yl)-vinyl]-phenyl}-amine
CID 5749675
4-(2,2-bis(1-(p-tolyl)-1H-tetrazol-5-yl)vinyl)-N,N-diethylaniline
CID 9538692
1-[2-(1-[1,1'-biphenyl]-4-yl-1H-1,2,3,4-tetraazol-5-yl)vinyl]azepane
CID 5716499
Process for preparing 2-{2-[1-(2-fluorophenyl)-1h-1,2,3,4-tetrazol-5-yl]phenyl}-n,n-dimethylaniline
CID 73052515

Frequently Asked Questions

What is the IUPAC name of 4-[2,2-bis[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[2,2-bis[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]-N,N-dimethylaniline (CID 2885743) is 4-[2,2-bis[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[2,2-bis[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[2,2-bis[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]-N,N-dimethylaniline is Cc1ccc(-n2nnnc2C(=Cc2ccc(N(C)C)cc2)c2nnnn2-c2ccc(C)cc2)cc1.
What is the InChIKey of 4-[2,2-bis[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]-N,N-dimethylaniline?
The InChIKey is PZUDJZVJDYDDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N9/c1-18-5-11-22(12-6-18)34-25(27-29-31-34)24(17-20-9-15-21(16-10-20)33(3)4)26-28-30-32-35(26)23-13-7-19(2)8-14-23/h5-17H,1-4H3.
What are the key properties of 4-[2,2-bis[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]-N,N-dimethylaniline?
4-[2,2-bis[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]-N,N-dimethylaniline has a molecular weight of 463.55 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-bis[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]-N,N-dimethylaniline is sourced from PubChem (CID 2885743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).