[4-[[4-(dimethylamino)phenyl]-(8-phenylnaphthalen-1-yl)methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium

C33H31N2+ — CID 101255429

IUPAC[4-[[4-(dimethylamino)phenyl]-(8-phenylnaphthalen-1-yl)methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
SMILESCN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2cccc3cccc(-c4ccccc4)c23)cc1
InChIInChI=1S/C33H31N2/c1-34(2)28-20-16-26(17-21-28)32(27-18-22-29(23-19-27)35(3)4)31-15-9-13-25-12-8-14-30(33(25)31)24-10-6-5-7-11-24/h5-23H,1-4H3/q+1
InChIKeyLNVIJFRCZKFORH-UHFFFAOYSA-N
MW455.63 g/mol
LogP7.21
Rot. Bonds4

About [4-[[4-(dimethylamino)phenyl]-(8-phenylnaphthalen-1-yl)methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium

[4-[[4-(dimethylamino)phenyl]-(8-phenylnaphthalen-1-yl)methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium (PubChem CID 101255429) has the molecular formula C33H31N2+ and a molecular weight of 455.63 g/mol. Its IUPAC name is [4-[[4-(dimethylamino)phenyl]-(8-phenylnaphthalen-1-yl)methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium.

Molecular Properties

Compound Name[4-[[4-(dimethylamino)phenyl]-(8-phenylnaphthalen-1-yl)methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
PubChem CID101255429
Molecular FormulaC33H31N2+
Molecular Weight455.63 g/mol
Exact Mass455.25
IUPAC Name[4-[[4-(dimethylamino)phenyl]-(8-phenylnaphthalen-1-yl)methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
SMILESCN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2cccc3cccc(-c4ccccc4)c23)cc1
InChIInChI=1S/C33H31N2/c1-34(2)28-20-16-26(17-21-28)32(27-18-22-29(23-19-27)35(3)4)31-15-9-13-25-12-8-14-30(33(25)31)24-10-6-5-7-11-24/h5-23H,1-4H3/q+1
InChIKeyLNVIJFRCZKFORH-UHFFFAOYSA-N
XLogP7.21
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.63
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze [4-[[4-(dimethylamino)phenyl]-(8-phenylnaphthalen-1-yl)methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium 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

zinc;[4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;tetrachloride
CID 170839980
[4-[[4-(dimethylamino)phenyl]-[2-(trifluoromethyl)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
CID 102089262
[4-[[4-(dimethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium thiocyanate
CID 11153434
[4-[[3-(dimethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
CID 14574834
[4-[(4-aminophenyl)-[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride
CID 14345208
[4-[[4-(dimethylamino)phenyl]-pyridin-2-ylmethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride
CID 18457887
[4-[[4-(dimethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;hydroxy(dioxo)tungsten;hydroxy hydrogen phosphate
CID 6454250
[4-[[4-(dimethylamino)phenyl]-(7-methyl-2,1,3-benzothiadiazol-4-yl)methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
CID 69131178
bis([4-[[5-[bis(2-hydroxyethyl)amino]-2-methylphenyl]-[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium);sulfate
CID 57358819
[4-[(5-carboxy-2-pyridinyl)-[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
CID 69131976
4-[[4,4-bis(aminomethyl)cyclohexa-2,5-dien-1-ylidene]-phenylmethyl]-N,N-dimethylaniline
CID 90472468
[4-[(2E,4E)-1,6-bis[4-(dimethylamino)phenyl]-6-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)-3,4-dimethylhexa-2,4-dienylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
CID 15400348

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(dimethylamino)phenyl]-(8-phenylnaphthalen-1-yl)methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium?
The IUPAC name of [4-[[4-(dimethylamino)phenyl]-(8-phenylnaphthalen-1-yl)methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium (CID 101255429) is [4-[[4-(dimethylamino)phenyl]-(8-phenylnaphthalen-1-yl)methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium.
What is the SMILES notation for [4-[[4-(dimethylamino)phenyl]-(8-phenylnaphthalen-1-yl)methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium?
The canonical SMILES for [4-[[4-(dimethylamino)phenyl]-(8-phenylnaphthalen-1-yl)methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium is CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2cccc3cccc(-c4ccccc4)c23)cc1.
What is the InChIKey of [4-[[4-(dimethylamino)phenyl]-(8-phenylnaphthalen-1-yl)methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium?
The InChIKey is LNVIJFRCZKFORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31N2/c1-34(2)28-20-16-26(17-21-28)32(27-18-22-29(23-19-27)35(3)4)31-15-9-13-25-12-8-14-30(33(25)31)24-10-6-5-7-11-24/h5-23H,1-4H3/q+1.
What are the key properties of [4-[[4-(dimethylamino)phenyl]-(8-phenylnaphthalen-1-yl)methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium?
[4-[[4-(dimethylamino)phenyl]-(8-phenylnaphthalen-1-yl)methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium has a molecular weight of 455.63 g/mol, XLogP of 7.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(dimethylamino)phenyl]-(8-phenylnaphthalen-1-yl)methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium is sourced from PubChem (CID 101255429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).