5-[4-[(Z)-2-phenyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]-2H-tetrazole

C29H30N4 — CID 59963142

IUPAC5-[4-[(Z)-2-phenyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]-2H-tetrazole
SMILESCC1(C)CCC(C)(C)c2cc(/C(=C\c3ccc(-c4nn[nH]n4)cc3)c3ccccc3)ccc21
InChIInChI=1S/C29H30N4/c1-28(2)16-17-29(3,4)26-19-23(14-15-25(26)28)24(21-8-6-5-7-9-21)18-20-10-12-22(13-11-20)27-30-32-33-31-27/h5-15,18-19H,16-17H2,1-4H3,(H,30,31,32,33)/b24-18-
InChIKeyBNRUIBIQKISLTN-MOHJPFBDSA-N
MW434.59 g/mol
LogP6.80
Rot. Bonds4

About 5-[4-[(Z)-2-phenyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]-2H-tetrazole

5-[4-[(Z)-2-phenyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]-2H-tetrazole (PubChem CID 59963142) has the molecular formula C29H30N4 and a molecular weight of 434.59 g/mol. Its IUPAC name is 5-[4-[(Z)-2-phenyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[4-[(Z)-2-phenyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]-2H-tetrazole
PubChem CID59963142
Molecular FormulaC29H30N4
Molecular Weight434.59 g/mol
Exact Mass434.25
IUPAC Name5-[4-[(Z)-2-phenyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]-2H-tetrazole
SMILESCC1(C)CCC(C)(C)c2cc(/C(=C\c3ccc(-c4nn[nH]n4)cc3)c3ccccc3)ccc21
InChIInChI=1S/C29H30N4/c1-28(2)16-17-29(3,4)26-19-23(14-15-25(26)28)24(21-8-6-5-7-9-21)18-20-10-12-22(13-11-20)27-30-32-33-31-27/h5-15,18-19H,16-17H2,1-4H3,(H,30,31,32,33)/b24-18-
InChIKeyBNRUIBIQKISLTN-MOHJPFBDSA-N
XLogP6.80
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.59
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1,1,4,4-tetramethyl-6-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]-2,3-dihydronaphthalene
CID 14425582
1,1,4,4-tetramethyl-6-[(Z)-1-(4-phenylphenyl)prop-1-en-2-yl]-2,3-dihydronaphthalene
CID 18990095
5-[4-[2,2-diphenyl-1-[4-(2H-tetrazol-5-yl)phenyl]ethenyl]phenyl]-2H-tetrazole
CID 146430659
4,4-dimethyl-2-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]-5H-1,3-oxazole
CID 54108231
5-[4-[3,3,3-trifluoro-1-(3,5,5,8,8-pentamethyl-1,2,6,7-tetrahydronaphthalen-2-yl)prop-1-en-2-yl]phenyl]-2H-tetrazole
CID 70236432
2,2-dimethyl-5-[[4-(2H-tetrazol-5-yl)phenyl]methylidene]-1,3-dioxane-4,6-dione
CID 168598288
1-[(Z)-1,2-diphenylethenyl]-4-[4-[(Z)-1,2-diphenylethenyl]phenyl]benzene
CID 173002469
5-[(1E)-1-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methylidene]-2,3-dihydroinden-5-yl]-2H-tetrazole
CID 20658747
4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]benzenethiol
CID 54087498
1-(1,2-diphenylethenyl)-4-phenylbenzene
CID 54005685
9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene
CID 3380793
1,4-bis[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]benzene;methane;tris(1-phenylprop-1-enylbenzene)
CID 158090471

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(Z)-2-phenyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]-2H-tetrazole?
The IUPAC name of 5-[4-[(Z)-2-phenyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]-2H-tetrazole (CID 59963142) is 5-[4-[(Z)-2-phenyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[4-[(Z)-2-phenyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]-2H-tetrazole?
The canonical SMILES for 5-[4-[(Z)-2-phenyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]-2H-tetrazole is CC1(C)CCC(C)(C)c2cc(/C(=C\c3ccc(-c4nn[nH]n4)cc3)c3ccccc3)ccc21.
What is the InChIKey of 5-[4-[(Z)-2-phenyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]-2H-tetrazole?
The InChIKey is BNRUIBIQKISLTN-MOHJPFBDSA-N. The full InChI is InChI=1S/C29H30N4/c1-28(2)16-17-29(3,4)26-19-23(14-15-25(26)28)24(21-8-6-5-7-9-21)18-20-10-12-22(13-11-20)27-30-32-33-31-27/h5-15,18-19H,16-17H2,1-4H3,(H,30,31,32,33)/b24-18-.
What are the key properties of 5-[4-[(Z)-2-phenyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]-2H-tetrazole?
5-[4-[(Z)-2-phenyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]-2H-tetrazole has a molecular weight of 434.59 g/mol, XLogP of 6.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(Z)-2-phenyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]-2H-tetrazole is sourced from PubChem (CID 59963142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).