8-cyclopenta-1,3-dien-1-yl-2,2-dimethyl-4-phenyl-5-aza-2-silatricyclo[4.2.1.03,9]nona-1(9),3,5,7-tetraene

C20H17NSi — CID 173184647

IUPAC8-cyclopenta-1,3-dien-1-yl-2,2-dimethyl-4-phenyl-5-aza-2-silatricyclo[4.2.1.03,9]nona-1(9),3,5,7-tetraene
SMILESC[Si]1(C)C2=C3C(=NC(c4ccccc4)=C31)C=C2C1=CC=CC1
InChIInChI=1S/C20H17NSi/c1-22(2)19-15(13-8-6-7-9-13)12-16-17(19)20(22)18(21-16)14-10-4-3-5-11-14/h3-8,10-12H,9H2,1-2H3
InChIKeyWIJHAFNSJCBLBG-UHFFFAOYSA-N
MW299.45 g/mol
LogP4.78
Rot. Bonds2

About 8-cyclopenta-1,3-dien-1-yl-2,2-dimethyl-4-phenyl-5-aza-2-silatricyclo[4.2.1.03,9]nona-1(9),3,5,7-tetraene

8-cyclopenta-1,3-dien-1-yl-2,2-dimethyl-4-phenyl-5-aza-2-silatricyclo[4.2.1.03,9]nona-1(9),3,5,7-tetraene (PubChem CID 173184647) has the molecular formula C20H17NSi and a molecular weight of 299.45 g/mol. Its IUPAC name is 8-cyclopenta-1,3-dien-1-yl-2,2-dimethyl-4-phenyl-5-aza-2-silatricyclo[4.2.1.03,9]nona-1(9),3,5,7-tetraene.

Molecular Properties

Compound Name8-cyclopenta-1,3-dien-1-yl-2,2-dimethyl-4-phenyl-5-aza-2-silatricyclo[4.2.1.03,9]nona-1(9),3,5,7-tetraene
PubChem CID173184647
Molecular FormulaC20H17NSi
Molecular Weight299.45 g/mol
Exact Mass299.11
IUPAC Name8-cyclopenta-1,3-dien-1-yl-2,2-dimethyl-4-phenyl-5-aza-2-silatricyclo[4.2.1.03,9]nona-1(9),3,5,7-tetraene
SMILESC[Si]1(C)C2=C3C(=NC(c4ccccc4)=C31)C=C2C1=CC=CC1
InChIInChI=1S/C20H17NSi/c1-22(2)19-15(13-8-6-7-9-13)12-16-17(19)20(22)18(21-16)14-10-4-3-5-11-14/h3-8,10-12H,9H2,1-2H3
InChIKeyWIJHAFNSJCBLBG-UHFFFAOYSA-N
XLogP4.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.45
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 8-cyclopenta-1,3-dien-1-yl-2,2-dimethyl-4-phenyl-5-aza-2-silatricyclo[4.2.1.03,9]nona-1(9),3,5,7-tetraene with MolForge

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Related Compounds

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CID 57028388
Trimethyl-(2-porphyrin-2-ylphenyl)silane
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CID 69967262
CID 69967262
CID 91206846
CID 91206846
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CID 132044209
(3-cyclopenta-2,4-dien-1-yl-2-phenyl-5H-cyclopenta[b]pyrrol-4-ylidene)-dimethylsilane
CID 141593162
(2Z,5Z)-9-phenyl-8-azabicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene
CID 142821229
ethane;(3Z,5Z)-3-methyl-N-[(Z)-1-phenylprop-1-enyl]nona-3,5-dien-2-imine
CID 145409324
3-Methyl-2-phenyl-3a,4-dihydrocyclohepta[b]pyrrole
CID 164146007
2-Benzyl-8-cyclopenta-1,3-dien-1-yl-4-methyl-5-aza-2-silatricyclo[4.2.1.03,9]nona-1(8),3(9),4,6-tetraene;zirconium(2+);dichloride
CID 173184538

Frequently Asked Questions

What is the IUPAC name of 8-cyclopenta-1,3-dien-1-yl-2,2-dimethyl-4-phenyl-5-aza-2-silatricyclo[4.2.1.03,9]nona-1(9),3,5,7-tetraene?
The IUPAC name of 8-cyclopenta-1,3-dien-1-yl-2,2-dimethyl-4-phenyl-5-aza-2-silatricyclo[4.2.1.03,9]nona-1(9),3,5,7-tetraene (CID 173184647) is 8-cyclopenta-1,3-dien-1-yl-2,2-dimethyl-4-phenyl-5-aza-2-silatricyclo[4.2.1.03,9]nona-1(9),3,5,7-tetraene.
What is the SMILES notation for 8-cyclopenta-1,3-dien-1-yl-2,2-dimethyl-4-phenyl-5-aza-2-silatricyclo[4.2.1.03,9]nona-1(9),3,5,7-tetraene?
The canonical SMILES for 8-cyclopenta-1,3-dien-1-yl-2,2-dimethyl-4-phenyl-5-aza-2-silatricyclo[4.2.1.03,9]nona-1(9),3,5,7-tetraene is C[Si]1(C)C2=C3C(=NC(c4ccccc4)=C31)C=C2C1=CC=CC1.
What is the InChIKey of 8-cyclopenta-1,3-dien-1-yl-2,2-dimethyl-4-phenyl-5-aza-2-silatricyclo[4.2.1.03,9]nona-1(9),3,5,7-tetraene?
The InChIKey is WIJHAFNSJCBLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NSi/c1-22(2)19-15(13-8-6-7-9-13)12-16-17(19)20(22)18(21-16)14-10-4-3-5-11-14/h3-8,10-12H,9H2,1-2H3.
What are the key properties of 8-cyclopenta-1,3-dien-1-yl-2,2-dimethyl-4-phenyl-5-aza-2-silatricyclo[4.2.1.03,9]nona-1(9),3,5,7-tetraene?
8-cyclopenta-1,3-dien-1-yl-2,2-dimethyl-4-phenyl-5-aza-2-silatricyclo[4.2.1.03,9]nona-1(9),3,5,7-tetraene has a molecular weight of 299.45 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopenta-1,3-dien-1-yl-2,2-dimethyl-4-phenyl-5-aza-2-silatricyclo[4.2.1.03,9]nona-1(9),3,5,7-tetraene is sourced from PubChem (CID 173184647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).