2-(2-methyl-7-phenyl-3H-inden-5-yl)tetrazole

C17H14N4 — CID 87863438

IUPAC2-(2-methyl-7-phenyl-3H-inden-5-yl)tetrazole
SMILESCC1=Cc2c(cc(-n3ncnn3)cc2-c2ccccc2)C1
InChIInChI=1S/C17H14N4/c1-12-7-14-9-15(21-19-11-18-20-21)10-17(16(14)8-12)13-5-3-2-4-6-13/h2-6,8-11H,7H2,1H3
InChIKeyUUPLVWHEFWZEBD-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.29
Rot. Bonds2

About 2-(2-methyl-7-phenyl-3H-inden-5-yl)tetrazole

2-(2-methyl-7-phenyl-3H-inden-5-yl)tetrazole (PubChem CID 87863438) has the molecular formula C17H14N4 and a molecular weight of 274.33 g/mol. Its IUPAC name is 2-(2-methyl-7-phenyl-3H-inden-5-yl)tetrazole.

Molecular Properties

Compound Name2-(2-methyl-7-phenyl-3H-inden-5-yl)tetrazole
PubChem CID87863438
Molecular FormulaC17H14N4
Molecular Weight274.33 g/mol
Exact Mass274.12
IUPAC Name2-(2-methyl-7-phenyl-3H-inden-5-yl)tetrazole
SMILESCC1=Cc2c(cc(-n3ncnn3)cc2-c2ccccc2)C1
InChIInChI=1S/C17H14N4/c1-12-7-14-9-15(21-19-11-18-20-21)10-17(16(14)8-12)13-5-3-2-4-6-13/h2-6,8-11H,7H2,1H3
InChIKeyUUPLVWHEFWZEBD-UHFFFAOYSA-N
XLogP3.29
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

trimethyl-(2-methyl-7-phenyl-3H-inden-5-yl)azanium
CID 173242398
dichlorozirconium;2,6-dimethyl-4-phenyl-1H-indene
CID 174528512
4-(3,5-diphenylphenyl)-2-methyl-1H-indene
CID 141047281
2-methyl-4-(3-phenylphenyl)-1H-indene
CID 18008269
dimethylsilylidenezirconium(2+);bis(2-methyl-4-phenyl-1H-indene);dichloride
CID 173107373
4-(4-methoxyphenyl)-2,6-dimethyl-1H-indene
CID 173192637
1,1'-biphenyl;2-[4-(2-phenylethenyl)phenyl]tetrazole
CID 172863194
[3-(2-methyl-1H-inden-4-yl)phenyl]-diphenylphosphane
CID 173242054
2,6-dimethyl-4-(4-propylphenyl)-1H-indene
CID 87521295
1-(2-methyl-6-phenyl-1H-inden-4-yl)imidazole
CID 87863076
2,5-dimethyl-4-phenyl-1H-indene
CID 173229793
2-(3-iodophenyl)tetrazole
CID 141120715

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-7-phenyl-3H-inden-5-yl)tetrazole?
The IUPAC name of 2-(2-methyl-7-phenyl-3H-inden-5-yl)tetrazole (CID 87863438) is 2-(2-methyl-7-phenyl-3H-inden-5-yl)tetrazole.
What is the SMILES notation for 2-(2-methyl-7-phenyl-3H-inden-5-yl)tetrazole?
The canonical SMILES for 2-(2-methyl-7-phenyl-3H-inden-5-yl)tetrazole is CC1=Cc2c(cc(-n3ncnn3)cc2-c2ccccc2)C1.
What is the InChIKey of 2-(2-methyl-7-phenyl-3H-inden-5-yl)tetrazole?
The InChIKey is UUPLVWHEFWZEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4/c1-12-7-14-9-15(21-19-11-18-20-21)10-17(16(14)8-12)13-5-3-2-4-6-13/h2-6,8-11H,7H2,1H3.
What are the key properties of 2-(2-methyl-7-phenyl-3H-inden-5-yl)tetrazole?
2-(2-methyl-7-phenyl-3H-inden-5-yl)tetrazole has a molecular weight of 274.33 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-7-phenyl-3H-inden-5-yl)tetrazole is sourced from PubChem (CID 87863438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).