[4-[[4-[3-[dihydroxy(propan-2-yl)silyl]propyliminomethyl]phenyl]-[4-(dimethylamino)phenyl]methyl]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium

C30H42N3O2Si+ — CID 20709958

IUPAC[4-[[4-[3-[dihydroxy(propan-2-yl)silyl]propyliminomethyl]phenyl]-[4-(dimethylamino)phenyl]methyl]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
SMILESCC(C)[Si](O)(O)CCC/N=C/c1ccc(C(c2ccc(N(C)C)cc2)C2C=CC(=[N+](C)C)C=C2)cc1
InChIInChI=1S/C30H42N3O2Si/c1-23(2)36(34,35)21-7-20-31-22-24-8-10-25(11-9-24)30(26-12-16-28(17-13-26)32(3)4)27-14-18-29(19-15-27)33(5)6/h8-19,22-23,26,30,34-35H,7,20-21H2,1-6H3/q+1/b31-22+
InChIKeyQUSWEVDULFTKRQ-DFKUXCBWSA-N
MW504.77 g/mol
LogP4.99
Rot. Bonds10

About [4-[[4-[3-[dihydroxy(propan-2-yl)silyl]propyliminomethyl]phenyl]-[4-(dimethylamino)phenyl]methyl]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium

[4-[[4-[3-[dihydroxy(propan-2-yl)silyl]propyliminomethyl]phenyl]-[4-(dimethylamino)phenyl]methyl]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium (PubChem CID 20709958) has the molecular formula C30H42N3O2Si+ and a molecular weight of 504.77 g/mol. Its IUPAC name is [4-[[4-[3-[dihydroxy(propan-2-yl)silyl]propyliminomethyl]phenyl]-[4-(dimethylamino)phenyl]methyl]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium.

Molecular Properties

Compound Name[4-[[4-[3-[dihydroxy(propan-2-yl)silyl]propyliminomethyl]phenyl]-[4-(dimethylamino)phenyl]methyl]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
PubChem CID20709958
Molecular FormulaC30H42N3O2Si+
Molecular Weight504.77 g/mol
Exact Mass504.30
IUPAC Name[4-[[4-[3-[dihydroxy(propan-2-yl)silyl]propyliminomethyl]phenyl]-[4-(dimethylamino)phenyl]methyl]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
SMILESCC(C)[Si](O)(O)CCC/N=C/c1ccc(C(c2ccc(N(C)C)cc2)C2C=CC(=[N+](C)C)C=C2)cc1
InChIInChI=1S/C30H42N3O2Si/c1-23(2)36(34,35)21-7-20-31-22-24-8-10-25(11-9-24)30(26-12-16-28(17-13-26)32(3)4)27-14-18-29(19-15-27)33(5)6/h8-19,22-23,26,30,34-35H,7,20-21H2,1-6H3/q+1/b31-22+
InChIKeyQUSWEVDULFTKRQ-DFKUXCBWSA-N
XLogP4.99
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.77
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze [4-[[4-[3-[dihydroxy(propan-2-yl)silyl]propyliminomethyl]phenyl]-[4-(dimethylamino)phenyl]methyl]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium with MolForge

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Related Compounds

[4-[[4-[[3-[dihydroxy(propan-2-yl)silyl]-2-hydroxypropyl]amino]phenyl]-[4-(dimethylamino)phenyl]methyl]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
CID 20709957
4-(decyliminomethyl)-N,N-dimethylaniline
CID 160905349
[4-[bis[4-[2-(dimethylamino)phenyl]phenyl]methyl]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride
CID 175899476
4-(3-diphenylphosphanyloxypropyliminomethyl)-N,N-dimethylaniline
CID 101031441
1-(4-propan-2-ylphenyl)-N-[3-[(4-propan-2-ylphenyl)methylideneamino]propyl]methanimine
CID 139241248
N-(3-triethoxysilylpropyl)-1-[4-(3-triethoxysilylpropyliminomethyl)phenyl]methanimine
CID 22247245
(2R,3R,4R,5S)-6-[[4-(dimethylamino)phenyl]methylideneamino]hexane-1,2,3,4,5-pentol
CID 53381828
4-[[4-(dimethylamino)cyclohexa-2,5-dien-1-yl]-phenylmethyl]-N,N-dimethylaniline
CID 155228817
N-decyl-1-[4-(decyliminomethyl)phenyl]methanimine
CID 101093995
[4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
CID 3468
1-(4-ethenylphenyl)-N-(3-triethoxysilylpropyl)methanimine
CID 71347976
4-(3-trihydroxysilylpropyliminomethyl)benzene-1,2-diol
CID 139211832

Frequently Asked Questions

What is the IUPAC name of [4-[[4-[3-[dihydroxy(propan-2-yl)silyl]propyliminomethyl]phenyl]-[4-(dimethylamino)phenyl]methyl]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium?
The IUPAC name of [4-[[4-[3-[dihydroxy(propan-2-yl)silyl]propyliminomethyl]phenyl]-[4-(dimethylamino)phenyl]methyl]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium (CID 20709958) is [4-[[4-[3-[dihydroxy(propan-2-yl)silyl]propyliminomethyl]phenyl]-[4-(dimethylamino)phenyl]methyl]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium.
What is the SMILES notation for [4-[[4-[3-[dihydroxy(propan-2-yl)silyl]propyliminomethyl]phenyl]-[4-(dimethylamino)phenyl]methyl]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium?
The canonical SMILES for [4-[[4-[3-[dihydroxy(propan-2-yl)silyl]propyliminomethyl]phenyl]-[4-(dimethylamino)phenyl]methyl]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium is CC(C)[Si](O)(O)CCC/N=C/c1ccc(C(c2ccc(N(C)C)cc2)C2C=CC(=[N+](C)C)C=C2)cc1.
What is the InChIKey of [4-[[4-[3-[dihydroxy(propan-2-yl)silyl]propyliminomethyl]phenyl]-[4-(dimethylamino)phenyl]methyl]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium?
The InChIKey is QUSWEVDULFTKRQ-DFKUXCBWSA-N. The full InChI is InChI=1S/C30H42N3O2Si/c1-23(2)36(34,35)21-7-20-31-22-24-8-10-25(11-9-24)30(26-12-16-28(17-13-26)32(3)4)27-14-18-29(19-15-27)33(5)6/h8-19,22-23,26,30,34-35H,7,20-21H2,1-6H3/q+1/b31-22+.
What are the key properties of [4-[[4-[3-[dihydroxy(propan-2-yl)silyl]propyliminomethyl]phenyl]-[4-(dimethylamino)phenyl]methyl]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium?
[4-[[4-[3-[dihydroxy(propan-2-yl)silyl]propyliminomethyl]phenyl]-[4-(dimethylamino)phenyl]methyl]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium has a molecular weight of 504.77 g/mol, XLogP of 4.99, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-[3-[dihydroxy(propan-2-yl)silyl]propyliminomethyl]phenyl]-[4-(dimethylamino)phenyl]methyl]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium is sourced from PubChem (CID 20709958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).