trimethyl-[4-[2-(3-phenyl-2H-imidazol-1-yl)ethyl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-14-yl]silane

C28H29N5Si — CID 140693771

IUPACtrimethyl-[4-[2-(3-phenyl-2H-imidazol-1-yl)ethyl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-14-yl]silane
SMILESC[Si](C)(C)c1cccc2c1c1ncccc1c1nc(CCN3C=CN(c4ccccc4)C3)cn21
InChIInChI=1S/C28H29N5Si/c1-34(2,3)25-13-7-12-24-26(25)27-23(11-8-15-29-27)28-30-21(19-33(24)28)14-16-31-17-18-32(20-31)22-9-5-4-6-10-22/h4-13,15,17-19H,14,16,20H2,1-3H3
InChIKeyJVYRSHXSFHMQKC-UHFFFAOYSA-N
MW463.66 g/mol
LogP5.37
Rot. Bonds5

About trimethyl-[4-[2-(3-phenyl-2H-imidazol-1-yl)ethyl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-14-yl]silane

trimethyl-[4-[2-(3-phenyl-2H-imidazol-1-yl)ethyl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-14-yl]silane (PubChem CID 140693771) has the molecular formula C28H29N5Si and a molecular weight of 463.66 g/mol. Its IUPAC name is trimethyl-[4-[2-(3-phenyl-2H-imidazol-1-yl)ethyl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-14-yl]silane.

Molecular Properties

Compound Nametrimethyl-[4-[2-(3-phenyl-2H-imidazol-1-yl)ethyl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-14-yl]silane
PubChem CID140693771
Molecular FormulaC28H29N5Si
Molecular Weight463.66 g/mol
Exact Mass463.22
IUPAC Nametrimethyl-[4-[2-(3-phenyl-2H-imidazol-1-yl)ethyl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-14-yl]silane
SMILESC[Si](C)(C)c1cccc2c1c1ncccc1c1nc(CCN3C=CN(c4ccccc4)C3)cn21
InChIInChI=1S/C28H29N5Si/c1-34(2,3)25-13-7-12-24-26(25)27-23(11-8-15-29-27)28-30-21(19-33(24)28)14-16-31-17-18-32(20-31)22-9-5-4-6-10-22/h4-13,15,17-19H,14,16,20H2,1-3H3
InChIKeyJVYRSHXSFHMQKC-UHFFFAOYSA-N
XLogP5.37
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.66
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze trimethyl-[4-[2-(3-phenyl-2H-imidazol-1-yl)ethyl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-14-yl]silane with MolForge

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Related Compounds

[4-[2,3-dimethyl-3-(14-trimethylsilyl-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-4-yl)butan-2-yl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-14-yl]-trimethylsilane
CID 140693875
4-[2-(2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaen-4-yl)ethyl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene
CID 58202861
10-methyl-4-[2-(10-methyl-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaen-4-yl)ethyl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene
CID 140693827
10-fluoro-4-[2-(10-fluoro-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaen-4-yl)ethyl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene
CID 58202884
3,24-diphenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene
CID 122523763
4-[2-(2,5,15-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7,9,11,14,16-octaen-4-yl)ethyl]-2,5,15-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7,9,11,14,16-octaene
CID 58202809
1-methyl-3-phenyl-2H-imidazole;quinoline
CID 158967107
1,9,15-triazatetracyclo[12.4.0.02,7.08,13]octadeca-2,4,6,8(13),9,11,14,17-octaen-16-one
CID 90254240
7-methyl-2-[2-(7-methylimidazo[1,2-f]phenanthridin-2-yl)ethyl]imidazo[1,2-f]phenanthridine
CID 58202783
28,31-diphenyl-4,10,13,28,31-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.018,30.021,29.022,27]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,18(30),19,21(29),22,24,26-tetradecaene
CID 163427865
10,15-diazahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene
CID 139436335
3-dibenzothiophen-4-yl-24-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene
CID 122524205

Frequently Asked Questions

What is the IUPAC name of trimethyl-[4-[2-(3-phenyl-2H-imidazol-1-yl)ethyl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-14-yl]silane?
The IUPAC name of trimethyl-[4-[2-(3-phenyl-2H-imidazol-1-yl)ethyl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-14-yl]silane (CID 140693771) is trimethyl-[4-[2-(3-phenyl-2H-imidazol-1-yl)ethyl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-14-yl]silane.
What is the SMILES notation for trimethyl-[4-[2-(3-phenyl-2H-imidazol-1-yl)ethyl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-14-yl]silane?
The canonical SMILES for trimethyl-[4-[2-(3-phenyl-2H-imidazol-1-yl)ethyl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-14-yl]silane is C[Si](C)(C)c1cccc2c1c1ncccc1c1nc(CCN3C=CN(c4ccccc4)C3)cn21.
What is the InChIKey of trimethyl-[4-[2-(3-phenyl-2H-imidazol-1-yl)ethyl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-14-yl]silane?
The InChIKey is JVYRSHXSFHMQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5Si/c1-34(2,3)25-13-7-12-24-26(25)27-23(11-8-15-29-27)28-30-21(19-33(24)28)14-16-31-17-18-32(20-31)22-9-5-4-6-10-22/h4-13,15,17-19H,14,16,20H2,1-3H3.
What are the key properties of trimethyl-[4-[2-(3-phenyl-2H-imidazol-1-yl)ethyl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-14-yl]silane?
trimethyl-[4-[2-(3-phenyl-2H-imidazol-1-yl)ethyl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-14-yl]silane has a molecular weight of 463.66 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-[2-(3-phenyl-2H-imidazol-1-yl)ethyl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-14-yl]silane is sourced from PubChem (CID 140693771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).