5-(2,2-diphenylethenyl)-1-(3-methylphenyl)tetrazole

C22H18N4 — CID 122207425

IUPAC5-(2,2-diphenylethenyl)-1-(3-methylphenyl)tetrazole
SMILESCc1cccc(-n2nnnc2C=C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C22H18N4/c1-17-9-8-14-20(15-17)26-22(23-24-25-26)16-21(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-16H,1H3
InChIKeyAYENYHMACLIYME-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.56
Rot. Bonds4

About 5-(2,2-diphenylethenyl)-1-(3-methylphenyl)tetrazole

5-(2,2-diphenylethenyl)-1-(3-methylphenyl)tetrazole (PubChem CID 122207425) has the molecular formula C22H18N4 and a molecular weight of 338.41 g/mol. Its IUPAC name is 5-(2,2-diphenylethenyl)-1-(3-methylphenyl)tetrazole.

Molecular Properties

Compound Name5-(2,2-diphenylethenyl)-1-(3-methylphenyl)tetrazole
PubChem CID122207425
Molecular FormulaC22H18N4
Molecular Weight338.41 g/mol
Exact Mass338.15
IUPAC Name5-(2,2-diphenylethenyl)-1-(3-methylphenyl)tetrazole
SMILESCc1cccc(-n2nnnc2C=C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C22H18N4/c1-17-9-8-14-20(15-17)26-22(23-24-25-26)16-21(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-16H,1H3
InChIKeyAYENYHMACLIYME-UHFFFAOYSA-N
XLogP4.56
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 122207433
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[4-methyl-2-[[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]amino]phenyl]-phenylmethanone
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CID 61352817
N-methyl-2-[1-(3-methylphenyl)tetrazol-5-yl]propan-2-amine
CID 53009741
5-(4-tert-butylphenyl)-1-(3-methylphenyl)tetrazole
CID 829550
1-methyl-3-(1-phenylprop-1-enyl)benzene
CID 54065155
2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide
CID 853335
1-[3-[2-(1-phenyltetrazol-5-yl)ethenylamino]phenyl]ethanone
CID 4592804
4-[[1-(3-methylphenyl)tetrazol-5-yl]sulfanylmethyl]morpholine
CID 100818649

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-diphenylethenyl)-1-(3-methylphenyl)tetrazole?
The IUPAC name of 5-(2,2-diphenylethenyl)-1-(3-methylphenyl)tetrazole (CID 122207425) is 5-(2,2-diphenylethenyl)-1-(3-methylphenyl)tetrazole.
What is the SMILES notation for 5-(2,2-diphenylethenyl)-1-(3-methylphenyl)tetrazole?
The canonical SMILES for 5-(2,2-diphenylethenyl)-1-(3-methylphenyl)tetrazole is Cc1cccc(-n2nnnc2C=C(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 5-(2,2-diphenylethenyl)-1-(3-methylphenyl)tetrazole?
The InChIKey is AYENYHMACLIYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4/c1-17-9-8-14-20(15-17)26-22(23-24-25-26)16-21(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-16H,1H3.
What are the key properties of 5-(2,2-diphenylethenyl)-1-(3-methylphenyl)tetrazole?
5-(2,2-diphenylethenyl)-1-(3-methylphenyl)tetrazole has a molecular weight of 338.41 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-diphenylethenyl)-1-(3-methylphenyl)tetrazole is sourced from PubChem (CID 122207425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).