9-cyclopenta-1,3-dien-1-yl-3,3-dimethyl-8-phenyl-7-aza-3-silatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene

C20H17NSi — CID 57028388

IUPAC9-cyclopenta-1,3-dien-1-yl-3,3-dimethyl-8-phenyl-7-aza-3-silatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene
SMILESC[Si]1(C)C2=CC3=NC(c4ccccc4)=C(C4=CC=CC4)C3=C21
InChIInChI=1S/C20H17NSi/c1-22(2)16-12-15-18(20(16)22)17(13-8-6-7-9-13)19(21-15)14-10-4-3-5-11-14/h3-8,10-12H,9H2,1-2H3
InChIKeyYCCUZBPQUWFNHU-UHFFFAOYSA-N
MW299.45 g/mol
LogP4.78
Rot. Bonds2

About 9-cyclopenta-1,3-dien-1-yl-3,3-dimethyl-8-phenyl-7-aza-3-silatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene

9-cyclopenta-1,3-dien-1-yl-3,3-dimethyl-8-phenyl-7-aza-3-silatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene (PubChem CID 57028388) has the molecular formula C20H17NSi and a molecular weight of 299.45 g/mol. Its IUPAC name is 9-cyclopenta-1,3-dien-1-yl-3,3-dimethyl-8-phenyl-7-aza-3-silatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene.

Molecular Properties

Compound Name9-cyclopenta-1,3-dien-1-yl-3,3-dimethyl-8-phenyl-7-aza-3-silatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene
PubChem CID57028388
Molecular FormulaC20H17NSi
Molecular Weight299.45 g/mol
Exact Mass299.11
IUPAC Name9-cyclopenta-1,3-dien-1-yl-3,3-dimethyl-8-phenyl-7-aza-3-silatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene
SMILESC[Si]1(C)C2=CC3=NC(c4ccccc4)=C(C4=CC=CC4)C3=C21
InChIInChI=1S/C20H17NSi/c1-22(2)16-12-15-18(20(16)22)17(13-8-6-7-9-13)19(21-15)14-10-4-3-5-11-14/h3-8,10-12H,9H2,1-2H3
InChIKeyYCCUZBPQUWFNHU-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 9-cyclopenta-1,3-dien-1-yl-3,3-dimethyl-8-phenyl-7-aza-3-silatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene with MolForge

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Related Compounds

2-Phenylcyclopenta[b]pyrrole
CID 17855769
Trimethyl-(2-porphyrin-2-ylphenyl)silane
CID 66649989
CID 69967262
CID 69967262
CID 91206846
CID 91206846
ethane;2-methyl-5-phenyl-3H-pyrrole;propane
CID 91542706
N-[(1Z,3Z)-1-phenyl-2-prop-1-en-2-ylhexa-1,3,5-trienyl]butan-2-imine
CID 132044209
(3-cyclopenta-2,4-dien-1-yl-2-phenyl-5H-cyclopenta[b]pyrrol-4-ylidene)-dimethylsilane
CID 141593162
1-cyclohexa-1,5-dien-1-yl-N-(1-phenylethenyl)ethanimine
CID 145064043
ethane;6-methyl-N-[(E)-2-methyl-1-phenylbut-1-enyl]cyclohexa-2,4-dien-1-imine
CID 145198715
ethane;(3Z,5Z)-3-methyl-N-[(Z)-1-phenylprop-1-enyl]nona-3,5-dien-2-imine
CID 145409324
1-cyclohexa-1,3-dien-1-yl-N-[(Z)-1-phenylbut-1-enyl]ethanimine
CID 156544140
[4-(4,5-diphenyl-3H-pyrrol-2-yl)phenyl]-dimethylsilane
CID 157736373

Frequently Asked Questions

What is the IUPAC name of 9-cyclopenta-1,3-dien-1-yl-3,3-dimethyl-8-phenyl-7-aza-3-silatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene?
The IUPAC name of 9-cyclopenta-1,3-dien-1-yl-3,3-dimethyl-8-phenyl-7-aza-3-silatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene (CID 57028388) is 9-cyclopenta-1,3-dien-1-yl-3,3-dimethyl-8-phenyl-7-aza-3-silatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene.
What is the SMILES notation for 9-cyclopenta-1,3-dien-1-yl-3,3-dimethyl-8-phenyl-7-aza-3-silatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene?
The canonical SMILES for 9-cyclopenta-1,3-dien-1-yl-3,3-dimethyl-8-phenyl-7-aza-3-silatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene is C[Si]1(C)C2=CC3=NC(c4ccccc4)=C(C4=CC=CC4)C3=C21.
What is the InChIKey of 9-cyclopenta-1,3-dien-1-yl-3,3-dimethyl-8-phenyl-7-aza-3-silatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene?
The InChIKey is YCCUZBPQUWFNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NSi/c1-22(2)16-12-15-18(20(16)22)17(13-8-6-7-9-13)19(21-15)14-10-4-3-5-11-14/h3-8,10-12H,9H2,1-2H3.
What are the key properties of 9-cyclopenta-1,3-dien-1-yl-3,3-dimethyl-8-phenyl-7-aza-3-silatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene?
9-cyclopenta-1,3-dien-1-yl-3,3-dimethyl-8-phenyl-7-aza-3-silatricyclo[4.3.0.02,4]nona-1,4,6,8-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 9-cyclopenta-1,3-dien-1-yl-3,3-dimethyl-8-phenyl-7-aza-3-silatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene is sourced from PubChem (CID 57028388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).