trimethyl-[(3E)-3-(1-phenylethylidene)-1,3-diazoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaen-14-yl]silane

C25H26N2Si+2 — CID 59895351

IUPACtrimethyl-[(3E)-3-(1-phenylethylidene)-1,3-diazoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaen-14-yl]silane
SMILESC/C(c1ccccc1)=[N+]1\C[n+]2c([Si](C)(C)C)ccc3ccc4cccc1c4c32
InChIInChI=1S/C25H26N2Si/c1-18(19-9-6-5-7-10-19)26-17-27-23(28(2,3)4)16-15-21-14-13-20-11-8-12-22(26)24(20)25(21)27/h5-16H,17H2,1-4H3/q+2/b26-18-
InChIKeyVPHVQCUPNYXWAJ-ITYLOYPMSA-N
MW382.58 g/mol
LogP4.95
Rot. Bonds2

About trimethyl-[(3E)-3-(1-phenylethylidene)-1,3-diazoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaen-14-yl]silane

trimethyl-[(3E)-3-(1-phenylethylidene)-1,3-diazoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaen-14-yl]silane (PubChem CID 59895351) has the molecular formula C25H26N2Si+2 and a molecular weight of 382.58 g/mol. Its IUPAC name is trimethyl-[(3E)-3-(1-phenylethylidene)-1,3-diazoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaen-14-yl]silane.

Molecular Properties

Compound Nametrimethyl-[(3E)-3-(1-phenylethylidene)-1,3-diazoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaen-14-yl]silane
PubChem CID59895351
Molecular FormulaC25H26N2Si+2
Molecular Weight382.58 g/mol
Exact Mass382.19
IUPAC Nametrimethyl-[(3E)-3-(1-phenylethylidene)-1,3-diazoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaen-14-yl]silane
SMILESC/C(c1ccccc1)=[N+]1\C[n+]2c([Si](C)(C)C)ccc3ccc4cccc1c4c32
InChIInChI=1S/C25H26N2Si/c1-18(19-9-6-5-7-10-19)26-17-27-23(28(2,3)4)16-15-21-14-13-20-11-8-12-22(26)24(20)25(21)27/h5-16H,17H2,1-4H3/q+2/b26-18-
InChIKeyVPHVQCUPNYXWAJ-ITYLOYPMSA-N
XLogP4.95
TPSA6.89 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.58
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[(3E)-3-(1-phenylethylidene)-1,3-diazoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaen-14-yl]silane?
The IUPAC name of trimethyl-[(3E)-3-(1-phenylethylidene)-1,3-diazoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaen-14-yl]silane (CID 59895351) is trimethyl-[(3E)-3-(1-phenylethylidene)-1,3-diazoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaen-14-yl]silane.
What is the SMILES notation for trimethyl-[(3E)-3-(1-phenylethylidene)-1,3-diazoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaen-14-yl]silane?
The canonical SMILES for trimethyl-[(3E)-3-(1-phenylethylidene)-1,3-diazoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaen-14-yl]silane is C/C(c1ccccc1)=[N+]1\C[n+]2c([Si](C)(C)C)ccc3ccc4cccc1c4c32.
What is the InChIKey of trimethyl-[(3E)-3-(1-phenylethylidene)-1,3-diazoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaen-14-yl]silane?
The InChIKey is VPHVQCUPNYXWAJ-ITYLOYPMSA-N. The full InChI is InChI=1S/C25H26N2Si/c1-18(19-9-6-5-7-10-19)26-17-27-23(28(2,3)4)16-15-21-14-13-20-11-8-12-22(26)24(20)25(21)27/h5-16H,17H2,1-4H3/q+2/b26-18-.
What are the key properties of trimethyl-[(3E)-3-(1-phenylethylidene)-1,3-diazoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaen-14-yl]silane?
trimethyl-[(3E)-3-(1-phenylethylidene)-1,3-diazoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaen-14-yl]silane has a molecular weight of 382.58 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(3E)-3-(1-phenylethylidene)-1,3-diazoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaen-14-yl]silane is sourced from PubChem (CID 59895351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).