(Z)-[(4-bromophenyl)-(5-ethyl-3,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methylidene]hydrazine

C23H29BrN2 — CID 142982133

IUPAC(Z)-[(4-bromophenyl)-(5-ethyl-3,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methylidene]hydrazine
SMILESCCC1(C)CCC(C)(C)c2cc(/C(=N\N)c3ccc(Br)cc3)c(C)cc21
InChIInChI=1S/C23H29BrN2/c1-6-23(5)12-11-22(3,4)19-14-18(15(2)13-20(19)23)21(26-25)16-7-9-17(24)10-8-16/h7-10,13-14H,6,11-12,25H2,1-5H3/b26-21-
InChIKeyUUFNKOAYFLMBFW-QLYXXIJNSA-N
MW413.40 g/mol
LogP6.21
Rot. Bonds3

About (Z)-[(4-bromophenyl)-(5-ethyl-3,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methylidene]hydrazine

(Z)-[(4-bromophenyl)-(5-ethyl-3,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methylidene]hydrazine (PubChem CID 142982133) has the molecular formula C23H29BrN2 and a molecular weight of 413.40 g/mol. Its IUPAC name is (Z)-[(4-bromophenyl)-(5-ethyl-3,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methylidene]hydrazine.

Molecular Properties

Compound Name(Z)-[(4-bromophenyl)-(5-ethyl-3,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methylidene]hydrazine
PubChem CID142982133
Molecular FormulaC23H29BrN2
Molecular Weight413.40 g/mol
Exact Mass412.15
IUPAC Name(Z)-[(4-bromophenyl)-(5-ethyl-3,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methylidene]hydrazine
SMILESCCC1(C)CCC(C)(C)c2cc(/C(=N\N)c3ccc(Br)cc3)c(C)cc21
InChIInChI=1S/C23H29BrN2/c1-6-23(5)12-11-22(3,4)19-14-18(15(2)13-20(19)23)21(26-25)16-7-9-17(24)10-8-16/h7-10,13-14H,6,11-12,25H2,1-5H3/b26-21-
InChIKeyUUFNKOAYFLMBFW-QLYXXIJNSA-N
XLogP6.21
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.40
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylidene]hydrazine
CID 173499164
2-[4-[(E)-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonohydrazonoyl]phenyl]cyclohexane-1,3-dione
CID 11464590
1-ethyl-1,4,4,5,5,8,8-heptamethyl-2,3,6,7-tetrahydroanthracene
CID 142986955
(NE)-N-[(4-iodophenyl)-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methylidene]hydroxylamine
CID 59807026
(E)-N-butoxy-1-(4-methylphenyl)-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanimine
CID 87851801
4-[N-cyano-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonimidoyl]benzoic acid
CID 10177429
4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzenesulfonic acid
CID 118343110
6-bromo-1-ethyl-4,4-dimethyl-2,3-dihydronaphthalen-1-ol
CID 22218273
4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl](11C)benzoic acid
CID 170653108
(Z)-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylidene]hydrazine
CID 59807011
(E)-1-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethylidenehydrazine
CID 56923567
6-bromo-1,1,4,4-tetramethyl-7-[1-(4-methylphenyl)ethenyl]-2,3-dihydronaphthalene
CID 69480296

Frequently Asked Questions

What is the IUPAC name of (Z)-[(4-bromophenyl)-(5-ethyl-3,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methylidene]hydrazine?
The IUPAC name of (Z)-[(4-bromophenyl)-(5-ethyl-3,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methylidene]hydrazine (CID 142982133) is (Z)-[(4-bromophenyl)-(5-ethyl-3,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methylidene]hydrazine.
What is the SMILES notation for (Z)-[(4-bromophenyl)-(5-ethyl-3,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methylidene]hydrazine?
The canonical SMILES for (Z)-[(4-bromophenyl)-(5-ethyl-3,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methylidene]hydrazine is CCC1(C)CCC(C)(C)c2cc(/C(=N\N)c3ccc(Br)cc3)c(C)cc21.
What is the InChIKey of (Z)-[(4-bromophenyl)-(5-ethyl-3,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methylidene]hydrazine?
The InChIKey is UUFNKOAYFLMBFW-QLYXXIJNSA-N. The full InChI is InChI=1S/C23H29BrN2/c1-6-23(5)12-11-22(3,4)19-14-18(15(2)13-20(19)23)21(26-25)16-7-9-17(24)10-8-16/h7-10,13-14H,6,11-12,25H2,1-5H3/b26-21-.
What are the key properties of (Z)-[(4-bromophenyl)-(5-ethyl-3,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methylidene]hydrazine?
(Z)-[(4-bromophenyl)-(5-ethyl-3,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methylidene]hydrazine has a molecular weight of 413.40 g/mol, XLogP of 6.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-[(4-bromophenyl)-(5-ethyl-3,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methylidene]hydrazine is sourced from PubChem (CID 142982133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).