trimethyl-(16-methyl-15-azaheptacyclo[15.6.2.13,7.02,12.014,24.021,25.011,26]hexacosa-1(24),2(12),3,5,7(26),8,10,13,15,17,19,21(25),22-tridecaen-13-yl)silane

C29H23NSi — CID 102597671

IUPACtrimethyl-(16-methyl-15-azaheptacyclo[15.6.2.13,7.02,12.014,24.021,25.011,26]hexacosa-1(24),2(12),3,5,7(26),8,10,13,15,17,19,21(25),22-tridecaen-13-yl)silane
SMILESCc1nc2c([Si](C)(C)C)c3c(c4ccc5cccc1c5c42)-c1cccc2cccc-3c12
InChIInChI=1S/C29H23NSi/c1-16-19-11-5-10-18-14-15-22-25-20-12-6-8-17-9-7-13-21(23(17)20)27(25)29(31(2,3)4)28(30-16)26(22)24(18)19/h5-15H,1-4H3
InChIKeyHNFWNPXTVRMXSK-UHFFFAOYSA-N
MW413.60 g/mol
LogP7.63
Rot. Bonds1

About trimethyl-(16-methyl-15-azaheptacyclo[15.6.2.13,7.02,12.014,24.021,25.011,26]hexacosa-1(24),2(12),3,5,7(26),8,10,13,15,17,19,21(25),22-tridecaen-13-yl)silane

trimethyl-(16-methyl-15-azaheptacyclo[15.6.2.13,7.02,12.014,24.021,25.011,26]hexacosa-1(24),2(12),3,5,7(26),8,10,13,15,17,19,21(25),22-tridecaen-13-yl)silane (PubChem CID 102597671) has the molecular formula C29H23NSi and a molecular weight of 413.60 g/mol. Its IUPAC name is trimethyl-(16-methyl-15-azaheptacyclo[15.6.2.13,7.02,12.014,24.021,25.011,26]hexacosa-1(24),2(12),3,5,7(26),8,10,13,15,17,19,21(25),22-tridecaen-13-yl)silane.

Molecular Properties

Compound Nametrimethyl-(16-methyl-15-azaheptacyclo[15.6.2.13,7.02,12.014,24.021,25.011,26]hexacosa-1(24),2(12),3,5,7(26),8,10,13,15,17,19,21(25),22-tridecaen-13-yl)silane
PubChem CID102597671
Molecular FormulaC29H23NSi
Molecular Weight413.60 g/mol
Exact Mass413.16
IUPAC Nametrimethyl-(16-methyl-15-azaheptacyclo[15.6.2.13,7.02,12.014,24.021,25.011,26]hexacosa-1(24),2(12),3,5,7(26),8,10,13,15,17,19,21(25),22-tridecaen-13-yl)silane
SMILESCc1nc2c([Si](C)(C)C)c3c(c4ccc5cccc1c5c42)-c1cccc2cccc-3c12
InChIInChI=1S/C29H23NSi/c1-16-19-11-5-10-18-14-15-22-25-20-12-6-8-17-9-7-13-21(23(17)20)27(25)29(31(2,3)4)28(30-16)26(22)24(18)19/h5-15H,1-4H3
InChIKeyHNFWNPXTVRMXSK-UHFFFAOYSA-N
XLogP7.63
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.60
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze trimethyl-(16-methyl-15-azaheptacyclo[15.6.2.13,7.02,12.014,24.021,25.011,26]hexacosa-1(24),2(12),3,5,7(26),8,10,13,15,17,19,21(25),22-tridecaen-13-yl)silane with MolForge

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Related Compounds

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CID 59642879
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CID 59642501
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ethane;fluoranthene;triphenylene
CID 160720447
trimethyl(pyren-1-yloxy)silane
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Frequently Asked Questions

What is the IUPAC name of trimethyl-(16-methyl-15-azaheptacyclo[15.6.2.13,7.02,12.014,24.021,25.011,26]hexacosa-1(24),2(12),3,5,7(26),8,10,13,15,17,19,21(25),22-tridecaen-13-yl)silane?
The IUPAC name of trimethyl-(16-methyl-15-azaheptacyclo[15.6.2.13,7.02,12.014,24.021,25.011,26]hexacosa-1(24),2(12),3,5,7(26),8,10,13,15,17,19,21(25),22-tridecaen-13-yl)silane (CID 102597671) is trimethyl-(16-methyl-15-azaheptacyclo[15.6.2.13,7.02,12.014,24.021,25.011,26]hexacosa-1(24),2(12),3,5,7(26),8,10,13,15,17,19,21(25),22-tridecaen-13-yl)silane.
What is the SMILES notation for trimethyl-(16-methyl-15-azaheptacyclo[15.6.2.13,7.02,12.014,24.021,25.011,26]hexacosa-1(24),2(12),3,5,7(26),8,10,13,15,17,19,21(25),22-tridecaen-13-yl)silane?
The canonical SMILES for trimethyl-(16-methyl-15-azaheptacyclo[15.6.2.13,7.02,12.014,24.021,25.011,26]hexacosa-1(24),2(12),3,5,7(26),8,10,13,15,17,19,21(25),22-tridecaen-13-yl)silane is Cc1nc2c([Si](C)(C)C)c3c(c4ccc5cccc1c5c42)-c1cccc2cccc-3c12.
What is the InChIKey of trimethyl-(16-methyl-15-azaheptacyclo[15.6.2.13,7.02,12.014,24.021,25.011,26]hexacosa-1(24),2(12),3,5,7(26),8,10,13,15,17,19,21(25),22-tridecaen-13-yl)silane?
The InChIKey is HNFWNPXTVRMXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23NSi/c1-16-19-11-5-10-18-14-15-22-25-20-12-6-8-17-9-7-13-21(23(17)20)27(25)29(31(2,3)4)28(30-16)26(22)24(18)19/h5-15H,1-4H3.
What are the key properties of trimethyl-(16-methyl-15-azaheptacyclo[15.6.2.13,7.02,12.014,24.021,25.011,26]hexacosa-1(24),2(12),3,5,7(26),8,10,13,15,17,19,21(25),22-tridecaen-13-yl)silane?
trimethyl-(16-methyl-15-azaheptacyclo[15.6.2.13,7.02,12.014,24.021,25.011,26]hexacosa-1(24),2(12),3,5,7(26),8,10,13,15,17,19,21(25),22-tridecaen-13-yl)silane has a molecular weight of 413.60 g/mol, XLogP of 7.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(16-methyl-15-azaheptacyclo[15.6.2.13,7.02,12.014,24.021,25.011,26]hexacosa-1(24),2(12),3,5,7(26),8,10,13,15,17,19,21(25),22-tridecaen-13-yl)silane is sourced from PubChem (CID 102597671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).