17,17-dimethyl-13-phenyl-12,14-diaza-17-silatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene

C22H18N2Si — CID 140785777

IUPAC17,17-dimethyl-13-phenyl-12,14-diaza-17-silatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
SMILESC[Si]1(C)c2cc3ccccc3cc2-c2nc(-c3ccccc3)ncc21
InChIInChI=1S/C22H18N2Si/c1-25(2)19-13-17-11-7-6-10-16(17)12-18(19)21-20(25)14-23-22(24-21)15-8-4-3-5-9-15/h3-14H,1-2H3
InChIKeyLXQLZHBQVDPOHC-UHFFFAOYSA-N
MW338.49 g/mol
LogP4.10
Rot. Bonds1

About 17,17-dimethyl-13-phenyl-12,14-diaza-17-silatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene

17,17-dimethyl-13-phenyl-12,14-diaza-17-silatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene (PubChem CID 140785777) has the molecular formula C22H18N2Si and a molecular weight of 338.49 g/mol. Its IUPAC name is 17,17-dimethyl-13-phenyl-12,14-diaza-17-silatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene.

Molecular Properties

Compound Name17,17-dimethyl-13-phenyl-12,14-diaza-17-silatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
PubChem CID140785777
Molecular FormulaC22H18N2Si
Molecular Weight338.49 g/mol
Exact Mass338.12
IUPAC Name17,17-dimethyl-13-phenyl-12,14-diaza-17-silatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
SMILESC[Si]1(C)c2cc3ccccc3cc2-c2nc(-c3ccccc3)ncc21
InChIInChI=1S/C22H18N2Si/c1-25(2)19-13-17-11-7-6-10-16(17)12-18(19)21-20(25)14-23-22(24-21)15-8-4-3-5-9-15/h3-14H,1-2H3
InChIKeyLXQLZHBQVDPOHC-UHFFFAOYSA-N
XLogP4.10
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 17,17-dimethyl-13-phenyl-12,14-diaza-17-silatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene with MolForge

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Related Compounds

12-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17,17-dimethyl-14-phenyl-13,15-diaza-17-silatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
CID 140785828
13-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17,17-dimethyl-15-naphthalen-1-yl-12,14-diaza-17-silatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
CID 140785759
15-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17,17-dimethyl-13-naphthalen-1-yl-12,14-diaza-17-silatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
CID 140785869
17,17-dimethyl-14-naphthalen-1-yl-12-(3-phenylphenyl)-13,15-diaza-17-silatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
CID 140785734
2-(5,5-dimethylnaphtho[2,3-b][1]benzosilol-2-yl)-4-(6-phenylnaphthalen-2-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 157359934
17,17-dimethyl-12-naphthalen-1-yl-14-[3-[3-(4-phenylphenyl)phenyl]phenyl]-13,15-diaza-17-silatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
CID 140785893
2-phenyl-4-(2-phenylphenyl)-5-[2-phenyl-4-(2-phenylphenyl)pyrimidin-5-yl]pyrimidine
CID 58947716
2-(7,7-dimethylnaphtho[2,1-b][1]benzosilol-9-yl)-4-(6-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 158354834
2-(5,5-dimethylnaphtho[2,3-b][1]benzosilol-4-yl)-4-(4-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 158350356
4,9,10,11,12,16,21,22,23,24-decakis-phenyl-3,5,15,17-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene
CID 58731980
2-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-4-(4-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 158183226
6,8,28,28-tetramethyl-7,16-diaza-28-silaheptacyclo[15.11.1.03,12.04,9.013,29.018,27.020,25]nonacosa-1(29),2,4(9),5,7,10,12,14,16,18,20,22,24,26-tetradecaene
CID 176880842

Frequently Asked Questions

What is the IUPAC name of 17,17-dimethyl-13-phenyl-12,14-diaza-17-silatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene?
The IUPAC name of 17,17-dimethyl-13-phenyl-12,14-diaza-17-silatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene (CID 140785777) is 17,17-dimethyl-13-phenyl-12,14-diaza-17-silatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene.
What is the SMILES notation for 17,17-dimethyl-13-phenyl-12,14-diaza-17-silatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene?
The canonical SMILES for 17,17-dimethyl-13-phenyl-12,14-diaza-17-silatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene is C[Si]1(C)c2cc3ccccc3cc2-c2nc(-c3ccccc3)ncc21.
What is the InChIKey of 17,17-dimethyl-13-phenyl-12,14-diaza-17-silatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene?
The InChIKey is LXQLZHBQVDPOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2Si/c1-25(2)19-13-17-11-7-6-10-16(17)12-18(19)21-20(25)14-23-22(24-21)15-8-4-3-5-9-15/h3-14H,1-2H3.
What are the key properties of 17,17-dimethyl-13-phenyl-12,14-diaza-17-silatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene?
17,17-dimethyl-13-phenyl-12,14-diaza-17-silatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene has a molecular weight of 338.49 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 17,17-dimethyl-13-phenyl-12,14-diaza-17-silatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene is sourced from PubChem (CID 140785777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).