2-[(4-phenylphenyl)methyl]-5-(2H-tetrazol-5-ylmethyl)tetrazole

C16H14N8 — CID 175731684

IUPAC2-[(4-phenylphenyl)methyl]-5-(2H-tetrazol-5-ylmethyl)tetrazole
SMILESc1ccc(-c2ccc(Cn3nnc(Cc4nn[nH]n4)n3)cc2)cc1
InChIInChI=1S/C16H14N8/c1-2-4-13(5-3-1)14-8-6-12(7-9-14)11-24-20-16(19-23-24)10-15-17-21-22-18-15/h1-9H,10-11H2,(H,17,18,21,22)
InChIKeyDNJBUPNJPJMXMY-UHFFFAOYSA-N
MW318.34 g/mol
LogP1.49
Rot. Bonds5

About 2-[(4-phenylphenyl)methyl]-5-(2H-tetrazol-5-ylmethyl)tetrazole

2-[(4-phenylphenyl)methyl]-5-(2H-tetrazol-5-ylmethyl)tetrazole (PubChem CID 175731684) has the molecular formula C16H14N8 and a molecular weight of 318.34 g/mol. Its IUPAC name is 2-[(4-phenylphenyl)methyl]-5-(2H-tetrazol-5-ylmethyl)tetrazole.

Molecular Properties

Compound Name2-[(4-phenylphenyl)methyl]-5-(2H-tetrazol-5-ylmethyl)tetrazole
PubChem CID175731684
Molecular FormulaC16H14N8
Molecular Weight318.34 g/mol
Exact Mass318.13
IUPAC Name2-[(4-phenylphenyl)methyl]-5-(2H-tetrazol-5-ylmethyl)tetrazole
SMILESc1ccc(-c2ccc(Cn3nnc(Cc4nn[nH]n4)n3)cc2)cc1
InChIInChI=1S/C16H14N8/c1-2-4-13(5-3-1)14-8-6-12(7-9-14)11-24-20-16(19-23-24)10-15-17-21-22-18-15/h1-9H,10-11H2,(H,17,18,21,22)
InChIKeyDNJBUPNJPJMXMY-UHFFFAOYSA-N
XLogP1.49
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(2H-tetrazol-5-ylmethyl)tetrazol-5-yl]methanethiol
CID 88748479
2-methyl-5-(2H-tetrazol-5-ylmethyl)tetrazole
CID 107044018
(5-benzyltetrazol-2-yl)methanol
CID 13081003
2-benzyl-5-(2,2-dimethylpropyl)tetrazole
CID 69033394
1-benzyl-4-(2H-tetrazol-5-ylmethyl)indole
CID 54073060
1,1'-biphenyl;1-(2H-tetrazol-5-yl)propan-2-one
CID 175092025
2-[(4-ethenylphenyl)methyl]-5-(2-phenylethyl)tetrazole
CID 172619805
1-[(4-chlorophenyl)methyl]-5-[4-(2H-tetrazol-5-ylmethyl)phenyl]pyridin-2-one
CID 58966924
4-(4-chlorophenyl)-2-phenyl-5-(2H-tetrazol-5-ylmethyl)-1,3-thiazole
CID 95560849
5-[(3-tert-butylphenyl)methyl]-2-[(4-tert-butylphenyl)methyl]tetrazole
CID 3739683
N,N-dimethyl-5-[(4-phenylphenyl)methyl]tetrazole-2-carboxamide
CID 24795576
4-[[2-[[4-(2-hydroxyacetyl)phenyl]methyl]tetrazol-5-yl]methyl]benzoic acid
CID 162138087

Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenylphenyl)methyl]-5-(2H-tetrazol-5-ylmethyl)tetrazole?
The IUPAC name of 2-[(4-phenylphenyl)methyl]-5-(2H-tetrazol-5-ylmethyl)tetrazole (CID 175731684) is 2-[(4-phenylphenyl)methyl]-5-(2H-tetrazol-5-ylmethyl)tetrazole.
What is the SMILES notation for 2-[(4-phenylphenyl)methyl]-5-(2H-tetrazol-5-ylmethyl)tetrazole?
The canonical SMILES for 2-[(4-phenylphenyl)methyl]-5-(2H-tetrazol-5-ylmethyl)tetrazole is c1ccc(-c2ccc(Cn3nnc(Cc4nn[nH]n4)n3)cc2)cc1.
What is the InChIKey of 2-[(4-phenylphenyl)methyl]-5-(2H-tetrazol-5-ylmethyl)tetrazole?
The InChIKey is DNJBUPNJPJMXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N8/c1-2-4-13(5-3-1)14-8-6-12(7-9-14)11-24-20-16(19-23-24)10-15-17-21-22-18-15/h1-9H,10-11H2,(H,17,18,21,22).
What are the key properties of 2-[(4-phenylphenyl)methyl]-5-(2H-tetrazol-5-ylmethyl)tetrazole?
2-[(4-phenylphenyl)methyl]-5-(2H-tetrazol-5-ylmethyl)tetrazole has a molecular weight of 318.34 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenylphenyl)methyl]-5-(2H-tetrazol-5-ylmethyl)tetrazole is sourced from PubChem (CID 175731684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).