5-[[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]methyl]-2H-tetrazole

C25H30N4 — CID 11440577

IUPAC5-[[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]methyl]-2H-tetrazole
SMILESC=C(c1ccc(Cc2nn[nH]n2)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C
InChIInChI=1S/C25H30N4/c1-16-13-21-22(25(5,6)12-11-24(21,3)4)15-20(16)17(2)19-9-7-18(8-10-19)14-23-26-28-29-27-23/h7-10,13,15H,2,11-12,14H2,1,3-6H3,(H,26,27,28,29)
InChIKeyNULLKKGMMYYSPR-UHFFFAOYSA-N
MW386.54 g/mol
LogP5.51
Rot. Bonds4

About 5-[[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]methyl]-2H-tetrazole

5-[[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]methyl]-2H-tetrazole (PubChem CID 11440577) has the molecular formula C25H30N4 and a molecular weight of 386.54 g/mol. Its IUPAC name is 5-[[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]methyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]methyl]-2H-tetrazole
PubChem CID11440577
Molecular FormulaC25H30N4
Molecular Weight386.54 g/mol
Exact Mass386.25
IUPAC Name5-[[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]methyl]-2H-tetrazole
SMILESC=C(c1ccc(Cc2nn[nH]n2)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C
InChIInChI=1S/C25H30N4/c1-16-13-21-22(25(5,6)12-11-24(21,3)4)15-20(16)17(2)19-9-7-18(8-10-19)14-23-26-28-29-27-23/h7-10,13,15H,2,11-12,14H2,1,3-6H3,(H,26,27,28,29)
InChIKeyNULLKKGMMYYSPR-UHFFFAOYSA-N
XLogP5.51
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.54
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]methyl]-2H-tetrazole?
The IUPAC name of 5-[[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]methyl]-2H-tetrazole (CID 11440577) is 5-[[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]methyl]-2H-tetrazole.
What is the SMILES notation for 5-[[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]methyl]-2H-tetrazole?
The canonical SMILES for 5-[[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]methyl]-2H-tetrazole is C=C(c1ccc(Cc2nn[nH]n2)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.
What is the InChIKey of 5-[[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]methyl]-2H-tetrazole?
The InChIKey is NULLKKGMMYYSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4/c1-16-13-21-22(25(5,6)12-11-24(21,3)4)15-20(16)17(2)19-9-7-18(8-10-19)14-23-26-28-29-27-23/h7-10,13,15H,2,11-12,14H2,1,3-6H3,(H,26,27,28,29).
What are the key properties of 5-[[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]methyl]-2H-tetrazole?
5-[[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]methyl]-2H-tetrazole has a molecular weight of 386.54 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]methyl]-2H-tetrazole is sourced from PubChem (CID 11440577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).