trimethyl-[(Z)-3-(3-methylidene-7-phenyl-14,26-diaza-4-azoniapentacyclo[16.8.0.04,9.010,15.019,24]hexacosa-4(9),5,7,10(15),11,13,19,21,23,25-decaen-25-yl)prop-2-enyl]silane

C36H38N3Si+ — CID 174099217

IUPACtrimethyl-[(Z)-3-(3-methylidene-7-phenyl-14,26-diaza-4-azoniapentacyclo[16.8.0.04,9.010,15.019,24]hexacosa-4(9),5,7,10(15),11,13,19,21,23,25-decaen-25-yl)prop-2-enyl]silane
SMILESC=C1CC2N=C(/C=C\C[Si](C)(C)C)c3ccccc3C2CCc2ncccc2-c2cc(-c3ccccc3)cc[n+]21
InChIInChI=1S/C36H38N3Si/c1-26-24-35-31(29-14-8-9-15-30(29)34(38-35)17-11-23-40(2,3)4)18-19-33-32(16-10-21-37-33)36-25-28(20-22-39(26)36)27-12-6-5-7-13-27/h5-17,20-22,25,31,35H,1,18-19,23-24H2,2-4H3/q+1/b17-11-
InChIKeyUZNHZLVVEMUVDW-BOPFTXTBSA-N
MW540.81 g/mol
LogP8.36
Rot. Bonds4

About trimethyl-[(Z)-3-(3-methylidene-7-phenyl-14,26-diaza-4-azoniapentacyclo[16.8.0.04,9.010,15.019,24]hexacosa-4(9),5,7,10(15),11,13,19,21,23,25-decaen-25-yl)prop-2-enyl]silane

trimethyl-[(Z)-3-(3-methylidene-7-phenyl-14,26-diaza-4-azoniapentacyclo[16.8.0.04,9.010,15.019,24]hexacosa-4(9),5,7,10(15),11,13,19,21,23,25-decaen-25-yl)prop-2-enyl]silane (PubChem CID 174099217) has the molecular formula C36H38N3Si+ and a molecular weight of 540.81 g/mol. Its IUPAC name is trimethyl-[(Z)-3-(3-methylidene-7-phenyl-14,26-diaza-4-azoniapentacyclo[16.8.0.04,9.010,15.019,24]hexacosa-4(9),5,7,10(15),11,13,19,21,23,25-decaen-25-yl)prop-2-enyl]silane.

Molecular Properties

Compound Nametrimethyl-[(Z)-3-(3-methylidene-7-phenyl-14,26-diaza-4-azoniapentacyclo[16.8.0.04,9.010,15.019,24]hexacosa-4(9),5,7,10(15),11,13,19,21,23,25-decaen-25-yl)prop-2-enyl]silane
PubChem CID174099217
Molecular FormulaC36H38N3Si+
Molecular Weight540.81 g/mol
Exact Mass540.28
IUPAC Nametrimethyl-[(Z)-3-(3-methylidene-7-phenyl-14,26-diaza-4-azoniapentacyclo[16.8.0.04,9.010,15.019,24]hexacosa-4(9),5,7,10(15),11,13,19,21,23,25-decaen-25-yl)prop-2-enyl]silane
SMILESC=C1CC2N=C(/C=C\C[Si](C)(C)C)c3ccccc3C2CCc2ncccc2-c2cc(-c3ccccc3)cc[n+]21
InChIInChI=1S/C36H38N3Si/c1-26-24-35-31(29-14-8-9-15-30(29)34(38-35)17-11-23-40(2,3)4)18-19-33-32(16-10-21-37-33)36-25-28(20-22-39(26)36)27-12-6-5-7-13-27/h5-17,20-22,25,31,35H,1,18-19,23-24H2,2-4H3/q+1/b17-11-
InChIKeyUZNHZLVVEMUVDW-BOPFTXTBSA-N
XLogP8.36
TPSA29.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.81
LogP ≤ 58.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze trimethyl-[(Z)-3-(3-methylidene-7-phenyl-14,26-diaza-4-azoniapentacyclo[16.8.0.04,9.010,15.019,24]hexacosa-4(9),5,7,10(15),11,13,19,21,23,25-decaen-25-yl)prop-2-enyl]silane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(Z)-3-(3-methylidene-7-phenyl-14,26-diaza-4-azoniapentacyclo[16.8.0.04,9.010,15.019,24]hexacosa-4(9),5,7,10(15),11,13,19,21,23,25-decaen-25-yl)prop-2-enyl]silane?
The IUPAC name of trimethyl-[(Z)-3-(3-methylidene-7-phenyl-14,26-diaza-4-azoniapentacyclo[16.8.0.04,9.010,15.019,24]hexacosa-4(9),5,7,10(15),11,13,19,21,23,25-decaen-25-yl)prop-2-enyl]silane (CID 174099217) is trimethyl-[(Z)-3-(3-methylidene-7-phenyl-14,26-diaza-4-azoniapentacyclo[16.8.0.04,9.010,15.019,24]hexacosa-4(9),5,7,10(15),11,13,19,21,23,25-decaen-25-yl)prop-2-enyl]silane.
What is the SMILES notation for trimethyl-[(Z)-3-(3-methylidene-7-phenyl-14,26-diaza-4-azoniapentacyclo[16.8.0.04,9.010,15.019,24]hexacosa-4(9),5,7,10(15),11,13,19,21,23,25-decaen-25-yl)prop-2-enyl]silane?
The canonical SMILES for trimethyl-[(Z)-3-(3-methylidene-7-phenyl-14,26-diaza-4-azoniapentacyclo[16.8.0.04,9.010,15.019,24]hexacosa-4(9),5,7,10(15),11,13,19,21,23,25-decaen-25-yl)prop-2-enyl]silane is C=C1CC2N=C(/C=C\C[Si](C)(C)C)c3ccccc3C2CCc2ncccc2-c2cc(-c3ccccc3)cc[n+]21.
What is the InChIKey of trimethyl-[(Z)-3-(3-methylidene-7-phenyl-14,26-diaza-4-azoniapentacyclo[16.8.0.04,9.010,15.019,24]hexacosa-4(9),5,7,10(15),11,13,19,21,23,25-decaen-25-yl)prop-2-enyl]silane?
The InChIKey is UZNHZLVVEMUVDW-BOPFTXTBSA-N. The full InChI is InChI=1S/C36H38N3Si/c1-26-24-35-31(29-14-8-9-15-30(29)34(38-35)17-11-23-40(2,3)4)18-19-33-32(16-10-21-37-33)36-25-28(20-22-39(26)36)27-12-6-5-7-13-27/h5-17,20-22,25,31,35H,1,18-19,23-24H2,2-4H3/q+1/b17-11-.
What are the key properties of trimethyl-[(Z)-3-(3-methylidene-7-phenyl-14,26-diaza-4-azoniapentacyclo[16.8.0.04,9.010,15.019,24]hexacosa-4(9),5,7,10(15),11,13,19,21,23,25-decaen-25-yl)prop-2-enyl]silane?
trimethyl-[(Z)-3-(3-methylidene-7-phenyl-14,26-diaza-4-azoniapentacyclo[16.8.0.04,9.010,15.019,24]hexacosa-4(9),5,7,10(15),11,13,19,21,23,25-decaen-25-yl)prop-2-enyl]silane has a molecular weight of 540.81 g/mol, XLogP of 8.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(Z)-3-(3-methylidene-7-phenyl-14,26-diaza-4-azoniapentacyclo[16.8.0.04,9.010,15.019,24]hexacosa-4(9),5,7,10(15),11,13,19,21,23,25-decaen-25-yl)prop-2-enyl]silane is sourced from PubChem (CID 174099217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).