[6'-(3-isocyanophenyl)spiro[2,4-dihydro-1H-naphthalene-3,2'-3H-chromene]-4'-ylidene]cyanamide

C26H19N3O — CID 58424513

IUPAC[6'-(3-isocyanophenyl)spiro[2,4-dihydro-1H-naphthalene-3,2'-3H-chromene]-4'-ylidene]cyanamide
SMILES[C-]#[N+]c1cccc(-c2ccc3c(c2)/C(=N/C#N)CC2(CCc4ccccc4C2)O3)c1
InChIInChI=1S/C26H19N3O/c1-28-22-8-4-7-19(13-22)20-9-10-25-23(14-20)24(29-17-27)16-26(30-25)12-11-18-5-2-3-6-21(18)15-26/h2-10,13-14H,11-12,15-16H2/b29-24+
InChIKeyIAJWAHWTAPVKHS-RMLRFSFXSA-N
MW389.46 g/mol
LogP5.88
Rot. Bonds1

About [6'-(3-isocyanophenyl)spiro[2,4-dihydro-1H-naphthalene-3,2'-3H-chromene]-4'-ylidene]cyanamide

[6'-(3-isocyanophenyl)spiro[2,4-dihydro-1H-naphthalene-3,2'-3H-chromene]-4'-ylidene]cyanamide (PubChem CID 58424513) has the molecular formula C26H19N3O and a molecular weight of 389.46 g/mol. Its IUPAC name is [6'-(3-isocyanophenyl)spiro[2,4-dihydro-1H-naphthalene-3,2'-3H-chromene]-4'-ylidene]cyanamide.

Molecular Properties

Compound Name[6'-(3-isocyanophenyl)spiro[2,4-dihydro-1H-naphthalene-3,2'-3H-chromene]-4'-ylidene]cyanamide
PubChem CID58424513
Molecular FormulaC26H19N3O
Molecular Weight389.46 g/mol
Exact Mass389.15
IUPAC Name[6'-(3-isocyanophenyl)spiro[2,4-dihydro-1H-naphthalene-3,2'-3H-chromene]-4'-ylidene]cyanamide
SMILES[C-]#[N+]c1cccc(-c2ccc3c(c2)/C(=N/C#N)CC2(CCc4ccccc4C2)O3)c1
InChIInChI=1S/C26H19N3O/c1-28-22-8-4-7-19(13-22)20-9-10-25-23(14-20)24(29-17-27)16-26(30-25)12-11-18-5-2-3-6-21(18)15-26/h2-10,13-14H,11-12,15-16H2/b29-24+
InChIKeyIAJWAHWTAPVKHS-RMLRFSFXSA-N
XLogP5.88
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.46
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze [6'-(3-isocyanophenyl)spiro[2,4-dihydro-1H-naphthalene-3,2'-3H-chromene]-4'-ylidene]cyanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6'-(3-isocyanophenyl)spiro[2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene-8,2'-3H-chromene]-4'-ylidene]cyanamide
CID 58423884
[6-(3-cyanophenyl)-1'-phenylspiro[3H-chromene-2,4'-piperidine]-4-ylidene]cyanamide
CID 58424642
6-bromospiro[3H-chromene-2,7'-5,6,8,9-tetrahydrobenzo[7]annulene]-4-one;(3-cyanophenyl)boronic acid;6-(3-isocyanophenyl)spiro[3H-chromene-2,7'-5,6,8,9-tetrahydrobenzo[7]annulene]-4-one
CID 158615286
CID 158733078
CID 158733078
[6-(3-cyanophenyl)-2,2-dimethyl-3H-chromen-4-ylidene]cyanamide
CID 143944584
[2-(2,2-dimethyloxan-4-yl)-6-(3-isocyanophenyl)-2,3-dihydrochromen-4-ylidene]cyanamide
CID 58424703
(E)-6-bromo-N-isocyanospiro[3H-chromene-2,6'-5,7,8,9-tetrahydrobenzo[7]annulene]-4-imine
CID 123218744
(E)-N-chloro-6'-(3-isocyanophenyl)spiro[3,5-dihydro-2H-1-benzoxepine-4,2'-3H-indene]-1'-imine
CID 140647213
tert-butyl 6-(3-isocyanophenyl)-4-oxospiro[3H-chromene-2,3'-piperidine]-1'-carboxylate
CID 58423785
CID 58197830
CID 58197830
6'-(3-isocyanophenyl)spiro[2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene-8,2'-3H-chromene]-4'-one
CID 58423993
6-(3-isocyanophenyl)spiro[3H-indene-2,4'-oxane]-1-one
CID 58198220

Frequently Asked Questions

What is the IUPAC name of [6'-(3-isocyanophenyl)spiro[2,4-dihydro-1H-naphthalene-3,2'-3H-chromene]-4'-ylidene]cyanamide?
The IUPAC name of [6'-(3-isocyanophenyl)spiro[2,4-dihydro-1H-naphthalene-3,2'-3H-chromene]-4'-ylidene]cyanamide (CID 58424513) is [6'-(3-isocyanophenyl)spiro[2,4-dihydro-1H-naphthalene-3,2'-3H-chromene]-4'-ylidene]cyanamide.
What is the SMILES notation for [6'-(3-isocyanophenyl)spiro[2,4-dihydro-1H-naphthalene-3,2'-3H-chromene]-4'-ylidene]cyanamide?
The canonical SMILES for [6'-(3-isocyanophenyl)spiro[2,4-dihydro-1H-naphthalene-3,2'-3H-chromene]-4'-ylidene]cyanamide is [C-]#[N+]c1cccc(-c2ccc3c(c2)/C(=N/C#N)CC2(CCc4ccccc4C2)O3)c1.
What is the InChIKey of [6'-(3-isocyanophenyl)spiro[2,4-dihydro-1H-naphthalene-3,2'-3H-chromene]-4'-ylidene]cyanamide?
The InChIKey is IAJWAHWTAPVKHS-RMLRFSFXSA-N. The full InChI is InChI=1S/C26H19N3O/c1-28-22-8-4-7-19(13-22)20-9-10-25-23(14-20)24(29-17-27)16-26(30-25)12-11-18-5-2-3-6-21(18)15-26/h2-10,13-14H,11-12,15-16H2/b29-24+.
What are the key properties of [6'-(3-isocyanophenyl)spiro[2,4-dihydro-1H-naphthalene-3,2'-3H-chromene]-4'-ylidene]cyanamide?
[6'-(3-isocyanophenyl)spiro[2,4-dihydro-1H-naphthalene-3,2'-3H-chromene]-4'-ylidene]cyanamide has a molecular weight of 389.46 g/mol, XLogP of 5.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6'-(3-isocyanophenyl)spiro[2,4-dihydro-1H-naphthalene-3,2'-3H-chromene]-4'-ylidene]cyanamide is sourced from PubChem (CID 58424513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).