5-(2,6-dibutylphenyl)-2-(2-phenylpropan-2-yl)tetrazole

C24H32N4 — CID 10738319

IUPAC5-(2,6-dibutylphenyl)-2-(2-phenylpropan-2-yl)tetrazole
SMILESCCCCc1cccc(CCCC)c1-c1nnn(C(C)(C)c2ccccc2)n1
InChIInChI=1S/C24H32N4/c1-5-7-13-19-15-12-16-20(14-8-6-2)22(19)23-25-27-28(26-23)24(3,4)21-17-10-9-11-18-21/h9-12,15-18H,5-8,13-14H2,1-4H3
InChIKeyCFMIFXDBZNXPTO-UHFFFAOYSA-N
MW376.55 g/mol
LogP5.81
Rot. Bonds9

About 5-(2,6-dibutylphenyl)-2-(2-phenylpropan-2-yl)tetrazole

5-(2,6-dibutylphenyl)-2-(2-phenylpropan-2-yl)tetrazole (PubChem CID 10738319) has the molecular formula C24H32N4 and a molecular weight of 376.55 g/mol. Its IUPAC name is 5-(2,6-dibutylphenyl)-2-(2-phenylpropan-2-yl)tetrazole.

Molecular Properties

Compound Name5-(2,6-dibutylphenyl)-2-(2-phenylpropan-2-yl)tetrazole
PubChem CID10738319
Molecular FormulaC24H32N4
Molecular Weight376.55 g/mol
Exact Mass376.26
IUPAC Name5-(2,6-dibutylphenyl)-2-(2-phenylpropan-2-yl)tetrazole
SMILESCCCCc1cccc(CCCC)c1-c1nnn(C(C)(C)c2ccccc2)n1
InChIInChI=1S/C24H32N4/c1-5-7-13-19-15-12-16-20(14-8-6-2)22(19)23-25-27-28(26-23)24(3,4)21-17-10-9-11-18-21/h9-12,15-18H,5-8,13-14H2,1-4H3
InChIKeyCFMIFXDBZNXPTO-UHFFFAOYSA-N
XLogP5.81
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.55
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-phenylphenyl)-2-(2-phenylpropan-2-yl)tetrazole
CID 10640908
5-[2-(4-methylphenyl)phenyl]-2-(2-phenylpropan-2-yl)tetrazole
CID 10546069
2-[2-(2-phenylpropan-2-yl)tetrazol-5-yl]benzaldehyde
CID 87057717
1,3-dibutyl-2-phenylbenzene
CID 15421912
4-[2-[2-(2-phenylpropan-2-yl)tetrazol-5-yl]phenyl]benzoic acid
CID 19388299
1-butyl-2-[[4-phenyl-3-[2-(2-phenylpropan-2-yl)tetrazol-5-yl]phenyl]methyl]indole-3-carboxylic acid
CID 67690327
CID 159940559
CID 159940559
CID 66654402
CID 66654402
5-[2-[4-[(4-butylimidazol-1-yl)methyl]phenyl]phenyl]-2-trityltetrazole
CID 10054317
tert-butylbenzene;hexane
CID 175254424
sodium;3-butyl-2-phenylphenol;hydride
CID 173461080
5-[2-[4-[[2-butyl-3-[[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazol-1-ium-1-yl]methyl]phenyl]phenyl]-2-trityltetrazole
CID 71653011

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dibutylphenyl)-2-(2-phenylpropan-2-yl)tetrazole?
The IUPAC name of 5-(2,6-dibutylphenyl)-2-(2-phenylpropan-2-yl)tetrazole (CID 10738319) is 5-(2,6-dibutylphenyl)-2-(2-phenylpropan-2-yl)tetrazole.
What is the SMILES notation for 5-(2,6-dibutylphenyl)-2-(2-phenylpropan-2-yl)tetrazole?
The canonical SMILES for 5-(2,6-dibutylphenyl)-2-(2-phenylpropan-2-yl)tetrazole is CCCCc1cccc(CCCC)c1-c1nnn(C(C)(C)c2ccccc2)n1.
What is the InChIKey of 5-(2,6-dibutylphenyl)-2-(2-phenylpropan-2-yl)tetrazole?
The InChIKey is CFMIFXDBZNXPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4/c1-5-7-13-19-15-12-16-20(14-8-6-2)22(19)23-25-27-28(26-23)24(3,4)21-17-10-9-11-18-21/h9-12,15-18H,5-8,13-14H2,1-4H3.
What are the key properties of 5-(2,6-dibutylphenyl)-2-(2-phenylpropan-2-yl)tetrazole?
5-(2,6-dibutylphenyl)-2-(2-phenylpropan-2-yl)tetrazole has a molecular weight of 376.55 g/mol, XLogP of 5.81, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dibutylphenyl)-2-(2-phenylpropan-2-yl)tetrazole is sourced from PubChem (CID 10738319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).