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

C24H21N9 — CID 2886334

IUPAC4-[2,2-bis(1-phenyltetrazol-5-yl)ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C=C(c2nnnn2-c2ccccc2)c2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C24H21N9/c1-31(2)19-15-13-18(14-16-19)17-22(23-25-27-29-32(23)20-9-5-3-6-10-20)24-26-28-30-33(24)21-11-7-4-8-12-21/h3-17H,1-2H3
InChIKeyGWPVLAMALAXBBS-UHFFFAOYSA-N
MW435.50 g/mol
LogP3.29
Rot. Bonds6

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

4-[2,2-bis(1-phenyltetrazol-5-yl)ethenyl]-N,N-dimethylaniline (PubChem CID 2886334) has the molecular formula C24H21N9 and a molecular weight of 435.50 g/mol. Its IUPAC name is 4-[2,2-bis(1-phenyltetrazol-5-yl)ethenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[2,2-bis(1-phenyltetrazol-5-yl)ethenyl]-N,N-dimethylaniline
PubChem CID2886334
Molecular FormulaC24H21N9
Molecular Weight435.50 g/mol
Exact Mass435.19
IUPAC Name4-[2,2-bis(1-phenyltetrazol-5-yl)ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C=C(c2nnnn2-c2ccccc2)c2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C24H21N9/c1-31(2)19-15-13-18(14-16-19)17-22(23-25-27-29-32(23)20-9-5-3-6-10-20)24-26-28-30-33(24)21-11-7-4-8-12-21/h3-17H,1-2H3
InChIKeyGWPVLAMALAXBBS-UHFFFAOYSA-N
XLogP3.29
TPSA90.44 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 53.29
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
(4-{2,2-bis[1-(4-methylphenyl)-1H-tetrazol-5-yl]vinyl}phenyl)dimethylamine
CID 2885743
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

Frequently Asked Questions

What is the IUPAC name of 4-[2,2-bis(1-phenyltetrazol-5-yl)ethenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[2,2-bis(1-phenyltetrazol-5-yl)ethenyl]-N,N-dimethylaniline (CID 2886334) is 4-[2,2-bis(1-phenyltetrazol-5-yl)ethenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[2,2-bis(1-phenyltetrazol-5-yl)ethenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[2,2-bis(1-phenyltetrazol-5-yl)ethenyl]-N,N-dimethylaniline is CN(C)c1ccc(C=C(c2nnnn2-c2ccccc2)c2nnnn2-c2ccccc2)cc1.
What is the InChIKey of 4-[2,2-bis(1-phenyltetrazol-5-yl)ethenyl]-N,N-dimethylaniline?
The InChIKey is GWPVLAMALAXBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N9/c1-31(2)19-15-13-18(14-16-19)17-22(23-25-27-29-32(23)20-9-5-3-6-10-20)24-26-28-30-33(24)21-11-7-4-8-12-21/h3-17H,1-2H3.
What are the key properties of 4-[2,2-bis(1-phenyltetrazol-5-yl)ethenyl]-N,N-dimethylaniline?
4-[2,2-bis(1-phenyltetrazol-5-yl)ethenyl]-N,N-dimethylaniline has a molecular weight of 435.50 g/mol, XLogP of 3.29, 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-phenyltetrazol-5-yl)ethenyl]-N,N-dimethylaniline is sourced from PubChem (CID 2886334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).