3-[1-(4-phenylphenyl)tetrazol-5-yl]-1H-indole

C21H15N5 — CID 822975

IUPAC3-[1-(4-phenylphenyl)tetrazol-5-yl]-1H-indole
SMILESc1ccc(-c2ccc(-n3nnnc3-c3c[nH]c4ccccc34)cc2)cc1
InChIInChI=1S/C21H15N5/c1-2-6-15(7-3-1)16-10-12-17(13-11-16)26-21(23-24-25-26)19-14-22-20-9-5-4-8-18(19)20/h1-14,22H
InChIKeyMYWLNUHOXLSXFR-UHFFFAOYSA-N
MW337.39 g/mol
LogP4.48
Rot. Bonds3

About 3-[1-(4-phenylphenyl)tetrazol-5-yl]-1H-indole

3-[1-(4-phenylphenyl)tetrazol-5-yl]-1H-indole (PubChem CID 822975) has the molecular formula C21H15N5 and a molecular weight of 337.39 g/mol. Its IUPAC name is 3-[1-(4-phenylphenyl)tetrazol-5-yl]-1H-indole.

Molecular Properties

Compound Name3-[1-(4-phenylphenyl)tetrazol-5-yl]-1H-indole
PubChem CID822975
Molecular FormulaC21H15N5
Molecular Weight337.39 g/mol
Exact Mass337.13
IUPAC Name3-[1-(4-phenylphenyl)tetrazol-5-yl]-1H-indole
SMILESc1ccc(-c2ccc(-n3nnnc3-c3c[nH]c4ccccc34)cc2)cc1
InChIInChI=1S/C21H15N5/c1-2-6-15(7-3-1)16-10-12-17(13-11-16)26-21(23-24-25-26)19-14-22-20-9-5-4-8-18(19)20/h1-14,22H
InChIKeyMYWLNUHOXLSXFR-UHFFFAOYSA-N
XLogP4.48
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-phenylphenyl)tetrazol-5-yl]-1H-indole?
The IUPAC name of 3-[1-(4-phenylphenyl)tetrazol-5-yl]-1H-indole (CID 822975) is 3-[1-(4-phenylphenyl)tetrazol-5-yl]-1H-indole.
What is the SMILES notation for 3-[1-(4-phenylphenyl)tetrazol-5-yl]-1H-indole?
The canonical SMILES for 3-[1-(4-phenylphenyl)tetrazol-5-yl]-1H-indole is c1ccc(-c2ccc(-n3nnnc3-c3c[nH]c4ccccc34)cc2)cc1.
What is the InChIKey of 3-[1-(4-phenylphenyl)tetrazol-5-yl]-1H-indole?
The InChIKey is MYWLNUHOXLSXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5/c1-2-6-15(7-3-1)16-10-12-17(13-11-16)26-21(23-24-25-26)19-14-22-20-9-5-4-8-18(19)20/h1-14,22H.
What are the key properties of 3-[1-(4-phenylphenyl)tetrazol-5-yl]-1H-indole?
3-[1-(4-phenylphenyl)tetrazol-5-yl]-1H-indole has a molecular weight of 337.39 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-phenylphenyl)tetrazol-5-yl]-1H-indole is sourced from PubChem (CID 822975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).