(3Z)-3-(cyclohexylidenehydrazinylidene)-2-(2,2-diphenylacetyl)inden-1-one

C29H26N2O2 — CID 71312376

IUPAC(3Z)-3-(cyclohexylidenehydrazinylidene)-2-(2,2-diphenylacetyl)inden-1-one
SMILESO=C1c2ccccc2/C(=N\N=C2CCCCC2)C1C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H26N2O2/c32-28-24-19-11-10-18-23(24)27(31-30-22-16-8-3-9-17-22)26(28)29(33)25(20-12-4-1-5-13-20)21-14-6-2-7-15-21/h1-2,4-7,10-15,18-19,25-26H,3,8-9,16-17H2/b31-27+
InChIKeyCULXSTLNPHOSFZ-TVKQRKNISA-N
MW434.54 g/mol
LogP6.01
Rot. Bonds5

About (3Z)-3-(cyclohexylidenehydrazinylidene)-2-(2,2-diphenylacetyl)inden-1-one

(3Z)-3-(cyclohexylidenehydrazinylidene)-2-(2,2-diphenylacetyl)inden-1-one (PubChem CID 71312376) has the molecular formula C29H26N2O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is (3Z)-3-(cyclohexylidenehydrazinylidene)-2-(2,2-diphenylacetyl)inden-1-one.

Molecular Properties

Compound Name(3Z)-3-(cyclohexylidenehydrazinylidene)-2-(2,2-diphenylacetyl)inden-1-one
PubChem CID71312376
Molecular FormulaC29H26N2O2
Molecular Weight434.54 g/mol
Exact Mass434.20
IUPAC Name(3Z)-3-(cyclohexylidenehydrazinylidene)-2-(2,2-diphenylacetyl)inden-1-one
SMILESO=C1c2ccccc2/C(=N\N=C2CCCCC2)C1C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H26N2O2/c32-28-24-19-11-10-18-23(24)27(31-30-22-16-8-3-9-17-22)26(28)29(33)25(20-12-4-1-5-13-20)21-14-6-2-7-15-21/h1-2,4-7,10-15,18-19,25-26H,3,8-9,16-17H2/b31-27+
InChIKeyCULXSTLNPHOSFZ-TVKQRKNISA-N
XLogP6.01
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', '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

Diphacinone
CID 6719
2-(Diphenylacetyl)-1,3-indandione 1-hydrazone
CID 92993
Difezon
CID 5375071
2-Hydrazinylideneacenaphthylen-1-one
CID 231433
10-Phenyl-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione
CID 2856914
2-Diphenylacetyl-1,3-indandione-1-hydrazone
CID 5357656
delta(sup 1,2')-Biindan-1',3'-dione, 3,3''-azinobis-
CID 6507140
3-Phenyl-1,2-indandione 2-oxime
CID 9603857
3-Imino-2-phenylinden-1-one
CID 2828498
(10E)-10-(benzhydrylidenehydrazinylidene)phenanthren-9-one
CID 5834467
2-(2,2-Diphenylacetyl)-3-(propan-2-ylidenehydrazinylidene)inden-1-one
CID 223898
(3Z)-2-(2,2-diphenylacetyl)-3-(propan-2-ylidenehydrazinylidene)inden-1-one
CID 5354516

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(cyclohexylidenehydrazinylidene)-2-(2,2-diphenylacetyl)inden-1-one?
The IUPAC name of (3Z)-3-(cyclohexylidenehydrazinylidene)-2-(2,2-diphenylacetyl)inden-1-one (CID 71312376) is (3Z)-3-(cyclohexylidenehydrazinylidene)-2-(2,2-diphenylacetyl)inden-1-one.
What is the SMILES notation for (3Z)-3-(cyclohexylidenehydrazinylidene)-2-(2,2-diphenylacetyl)inden-1-one?
The canonical SMILES for (3Z)-3-(cyclohexylidenehydrazinylidene)-2-(2,2-diphenylacetyl)inden-1-one is O=C1c2ccccc2/C(=N\N=C2CCCCC2)C1C(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of (3Z)-3-(cyclohexylidenehydrazinylidene)-2-(2,2-diphenylacetyl)inden-1-one?
The InChIKey is CULXSTLNPHOSFZ-TVKQRKNISA-N. The full InChI is InChI=1S/C29H26N2O2/c32-28-24-19-11-10-18-23(24)27(31-30-22-16-8-3-9-17-22)26(28)29(33)25(20-12-4-1-5-13-20)21-14-6-2-7-15-21/h1-2,4-7,10-15,18-19,25-26H,3,8-9,16-17H2/b31-27+.
What are the key properties of (3Z)-3-(cyclohexylidenehydrazinylidene)-2-(2,2-diphenylacetyl)inden-1-one?
(3Z)-3-(cyclohexylidenehydrazinylidene)-2-(2,2-diphenylacetyl)inden-1-one has a molecular weight of 434.54 g/mol, XLogP of 6.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(cyclohexylidenehydrazinylidene)-2-(2,2-diphenylacetyl)inden-1-one is sourced from PubChem (CID 71312376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).