15,15-dimethyl-16,19-diphenyl-15-silapentacyclo[6.6.5.01,18.02,7.09,14]nonadeca-2,4,6,9,11,13,16,18-octaene

C32H26Si — CID 122203322

IUPAC15,15-dimethyl-16,19-diphenyl-15-silapentacyclo[6.6.5.01,18.02,7.09,14]nonadeca-2,4,6,9,11,13,16,18-octaene
SMILESC[Si]1(C)C(c2ccccc2)=CC2=C(c3ccccc3)C3c4ccccc4C21c1ccccc13
InChIInChI=1S/C32H26Si/c1-33(2)29(22-13-5-3-6-14-22)21-28-30(23-15-7-4-8-16-23)31-24-17-9-11-19-26(24)32(28,33)27-20-12-10-18-25(27)31/h3-21,31H,1-2H3
InChIKeyOEOZMBKXKRHFJK-UHFFFAOYSA-N
MW438.65 g/mol
LogP7.77
Rot. Bonds2

About 15,15-dimethyl-16,19-diphenyl-15-silapentacyclo[6.6.5.01,18.02,7.09,14]nonadeca-2,4,6,9,11,13,16,18-octaene

15,15-dimethyl-16,19-diphenyl-15-silapentacyclo[6.6.5.01,18.02,7.09,14]nonadeca-2,4,6,9,11,13,16,18-octaene (PubChem CID 122203322) has the molecular formula C32H26Si and a molecular weight of 438.65 g/mol. Its IUPAC name is 15,15-dimethyl-16,19-diphenyl-15-silapentacyclo[6.6.5.01,18.02,7.09,14]nonadeca-2,4,6,9,11,13,16,18-octaene.

Molecular Properties

Compound Name15,15-dimethyl-16,19-diphenyl-15-silapentacyclo[6.6.5.01,18.02,7.09,14]nonadeca-2,4,6,9,11,13,16,18-octaene
PubChem CID122203322
Molecular FormulaC32H26Si
Molecular Weight438.65 g/mol
Exact Mass438.18
IUPAC Name15,15-dimethyl-16,19-diphenyl-15-silapentacyclo[6.6.5.01,18.02,7.09,14]nonadeca-2,4,6,9,11,13,16,18-octaene
SMILESC[Si]1(C)C(c2ccccc2)=CC2=C(c3ccccc3)C3c4ccccc4C21c1ccccc13
InChIInChI=1S/C32H26Si/c1-33(2)29(22-13-5-3-6-14-22)21-28-30(23-15-7-4-8-16-23)31-24-17-9-11-19-26(24)32(28,33)27-20-12-10-18-25(27)31/h3-21,31H,1-2H3
InChIKeyOEOZMBKXKRHFJK-UHFFFAOYSA-N
XLogP7.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.65
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 15,15-dimethyl-16,19-diphenyl-15-silapentacyclo[6.6.5.01,18.02,7.09,14]nonadeca-2,4,6,9,11,13,16,18-octaene with MolForge

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Related Compounds

(15,16-diphenyl-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaenyl)phosphane
CID 100929052
1-(1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenylselanylsulfanylselanyl)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene
CID 12022631
4-[16-[4-(dimethylamino)phenyl]-15-thiapentacyclo[6.6.5.01,18.02,7.09,14]nonadeca-2,4,6,9,11,13,16,18-octaen-19-yl]benzaldehyde
CID 102135266
2,4-diphenyl-6-(5-phenyl-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)-1,3,5-triazine
CID 170722231
2,4-diphenyl-6-(4-phenyl-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)-1,3,5-triazine
CID 170722181
3-fluoro-1-methyl-2-phenyl-1H-indene
CID 86003078
2,4-diphenyl-6-[11-[2-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)pyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-1,3,5-triazine
CID 165151435
2,4-diphenyl-6-[11-[2-phenyl-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]pyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-1,3,5-triazine
CID 165150730
CID 11202746
CID 11202746
2,4-diphenyl-6-[11-[4-phenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-1,3,5-triazine
CID 165150876
2-(9,9-dimethylfluoren-3-yl)-4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenyl-1,3,5-triazine
CID 165150998
1-(4-chlorophenyl)selanylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene
CID 25149272

Frequently Asked Questions

What is the IUPAC name of 15,15-dimethyl-16,19-diphenyl-15-silapentacyclo[6.6.5.01,18.02,7.09,14]nonadeca-2,4,6,9,11,13,16,18-octaene?
The IUPAC name of 15,15-dimethyl-16,19-diphenyl-15-silapentacyclo[6.6.5.01,18.02,7.09,14]nonadeca-2,4,6,9,11,13,16,18-octaene (CID 122203322) is 15,15-dimethyl-16,19-diphenyl-15-silapentacyclo[6.6.5.01,18.02,7.09,14]nonadeca-2,4,6,9,11,13,16,18-octaene.
What is the SMILES notation for 15,15-dimethyl-16,19-diphenyl-15-silapentacyclo[6.6.5.01,18.02,7.09,14]nonadeca-2,4,6,9,11,13,16,18-octaene?
The canonical SMILES for 15,15-dimethyl-16,19-diphenyl-15-silapentacyclo[6.6.5.01,18.02,7.09,14]nonadeca-2,4,6,9,11,13,16,18-octaene is C[Si]1(C)C(c2ccccc2)=CC2=C(c3ccccc3)C3c4ccccc4C21c1ccccc13.
What is the InChIKey of 15,15-dimethyl-16,19-diphenyl-15-silapentacyclo[6.6.5.01,18.02,7.09,14]nonadeca-2,4,6,9,11,13,16,18-octaene?
The InChIKey is OEOZMBKXKRHFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26Si/c1-33(2)29(22-13-5-3-6-14-22)21-28-30(23-15-7-4-8-16-23)31-24-17-9-11-19-26(24)32(28,33)27-20-12-10-18-25(27)31/h3-21,31H,1-2H3.
What are the key properties of 15,15-dimethyl-16,19-diphenyl-15-silapentacyclo[6.6.5.01,18.02,7.09,14]nonadeca-2,4,6,9,11,13,16,18-octaene?
15,15-dimethyl-16,19-diphenyl-15-silapentacyclo[6.6.5.01,18.02,7.09,14]nonadeca-2,4,6,9,11,13,16,18-octaene has a molecular weight of 438.65 g/mol, XLogP of 7.77, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 15,15-dimethyl-16,19-diphenyl-15-silapentacyclo[6.6.5.01,18.02,7.09,14]nonadeca-2,4,6,9,11,13,16,18-octaene is sourced from PubChem (CID 122203322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).