(4Z)-6,6-dimethyl-N-[(4-nitrophenyl)methyl]-1-phenyl-4-(phenylhydrazinylidene)-5,7-dihydroindazol-7-amine

C28H28N6O2 — CID 155979704

IUPAC(4Z)-6,6-dimethyl-N-[(4-nitrophenyl)methyl]-1-phenyl-4-(phenylhydrazinylidene)-5,7-dihydroindazol-7-amine
SMILESCC1(C)C/C(=N/Nc2ccccc2)c2cnn(-c3ccccc3)c2C1NCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C28H28N6O2/c1-28(2)17-25(32-31-21-9-5-3-6-10-21)24-19-30-33(22-11-7-4-8-12-22)26(24)27(28)29-18-20-13-15-23(16-14-20)34(35)36/h3-16,19,27,29,31H,17-18H2,1-2H3/b32-25-
InChIKeyOJBTXSJUEJTBLS-MKCFTUBBSA-N
MW480.57 g/mol
LogP5.86
Rot. Bonds7

About (4Z)-6,6-dimethyl-N-[(4-nitrophenyl)methyl]-1-phenyl-4-(phenylhydrazinylidene)-5,7-dihydroindazol-7-amine

(4Z)-6,6-dimethyl-N-[(4-nitrophenyl)methyl]-1-phenyl-4-(phenylhydrazinylidene)-5,7-dihydroindazol-7-amine (PubChem CID 155979704) has the molecular formula C28H28N6O2 and a molecular weight of 480.57 g/mol. Its IUPAC name is (4Z)-6,6-dimethyl-N-[(4-nitrophenyl)methyl]-1-phenyl-4-(phenylhydrazinylidene)-5,7-dihydroindazol-7-amine.

Molecular Properties

Compound Name(4Z)-6,6-dimethyl-N-[(4-nitrophenyl)methyl]-1-phenyl-4-(phenylhydrazinylidene)-5,7-dihydroindazol-7-amine
PubChem CID155979704
Molecular FormulaC28H28N6O2
Molecular Weight480.57 g/mol
Exact Mass480.23
IUPAC Name(4Z)-6,6-dimethyl-N-[(4-nitrophenyl)methyl]-1-phenyl-4-(phenylhydrazinylidene)-5,7-dihydroindazol-7-amine
SMILESCC1(C)C/C(=N/Nc2ccccc2)c2cnn(-c3ccccc3)c2C1NCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C28H28N6O2/c1-28(2)17-25(32-31-21-9-5-3-6-10-21)24-19-30-33(22-11-7-4-8-12-22)26(24)27(28)29-18-20-13-15-23(16-14-20)34(35)36/h3-16,19,27,29,31H,17-18H2,1-2H3/b32-25-
InChIKeyOJBTXSJUEJTBLS-MKCFTUBBSA-N
XLogP5.86
TPSA97.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.57
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-3-[(4-nitrophenyl)hydrazinylidene]inden-1-one
CID 6251364
4-nitro-N-[(E)-(2-phenylpyrazol-3-yl)methylideneamino]aniline
CID 10935697
2-[(4-nitrophenyl)methylamino]-N-phenylacetamide
CID 60875406
2,2-dimethyl-N-[(4-nitrophenyl)methyl]cyclopentan-1-amine
CID 79831906
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(4-nitrophenyl)methyl]acetamide
CID 25106305
1-[(4-nitrophenyl)methyl]-3-phenylthiourea
CID 135077106
N-[(Z)-[(2R,3R)-2-nitro-3-(4-nitrophenyl)-3,5,6,7-tetrahydro-2H-1-benzofuran-4-ylidene]amino]aniline
CID 98152730
5-nitro-N-[(1-phenylpyrazol-4-yl)methyl]pyridin-2-amine
CID 16605810
N-(1,4-diphenylpyrazol-5-yl)-4-nitrobenzamide
CID 11523834
N-[(4-nitrophenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine
CID 63378673
4-chloro-2-(4-nitrophenyl)-5-[(4-nitrophenyl)methylamino]pyridazin-3-one
CID 133283797
(4E)-N-benzyl-3-methyl-4-[(4-nitrophenyl)hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19159140

Frequently Asked Questions

What is the IUPAC name of (4Z)-6,6-dimethyl-N-[(4-nitrophenyl)methyl]-1-phenyl-4-(phenylhydrazinylidene)-5,7-dihydroindazol-7-amine?
The IUPAC name of (4Z)-6,6-dimethyl-N-[(4-nitrophenyl)methyl]-1-phenyl-4-(phenylhydrazinylidene)-5,7-dihydroindazol-7-amine (CID 155979704) is (4Z)-6,6-dimethyl-N-[(4-nitrophenyl)methyl]-1-phenyl-4-(phenylhydrazinylidene)-5,7-dihydroindazol-7-amine.
What is the SMILES notation for (4Z)-6,6-dimethyl-N-[(4-nitrophenyl)methyl]-1-phenyl-4-(phenylhydrazinylidene)-5,7-dihydroindazol-7-amine?
The canonical SMILES for (4Z)-6,6-dimethyl-N-[(4-nitrophenyl)methyl]-1-phenyl-4-(phenylhydrazinylidene)-5,7-dihydroindazol-7-amine is CC1(C)C/C(=N/Nc2ccccc2)c2cnn(-c3ccccc3)c2C1NCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (4Z)-6,6-dimethyl-N-[(4-nitrophenyl)methyl]-1-phenyl-4-(phenylhydrazinylidene)-5,7-dihydroindazol-7-amine?
The InChIKey is OJBTXSJUEJTBLS-MKCFTUBBSA-N. The full InChI is InChI=1S/C28H28N6O2/c1-28(2)17-25(32-31-21-9-5-3-6-10-21)24-19-30-33(22-11-7-4-8-12-22)26(24)27(28)29-18-20-13-15-23(16-14-20)34(35)36/h3-16,19,27,29,31H,17-18H2,1-2H3/b32-25-.
What are the key properties of (4Z)-6,6-dimethyl-N-[(4-nitrophenyl)methyl]-1-phenyl-4-(phenylhydrazinylidene)-5,7-dihydroindazol-7-amine?
(4Z)-6,6-dimethyl-N-[(4-nitrophenyl)methyl]-1-phenyl-4-(phenylhydrazinylidene)-5,7-dihydroindazol-7-amine has a molecular weight of 480.57 g/mol, XLogP of 5.86, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-6,6-dimethyl-N-[(4-nitrophenyl)methyl]-1-phenyl-4-(phenylhydrazinylidene)-5,7-dihydroindazol-7-amine is sourced from PubChem (CID 155979704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).