6-methyl-12,12-diphenyl-12-silapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),4,6,9,13,15,17,19-decaene

C33H24Si — CID 153488316

IUPAC6-methyl-12,12-diphenyl-12-silapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),4,6,9,13,15,17,19-decaene
SMILESCc1ccc2c3c(ccc2c1)[Si](c1ccccc1)(c1ccccc1)c1cc2ccccc2cc1-3
InChIInChI=1S/C33H24Si/c1-23-16-18-29-26(20-23)17-19-31-33(29)30-21-24-10-8-9-11-25(24)22-32(30)34(31,27-12-4-2-5-13-27)28-14-6-3-7-15-28/h2-22H,1H3
InChIKeyXPUSJDHFROWMEU-UHFFFAOYSA-N
MW448.64 g/mol
LogP5.66
Rot. Bonds2

About 6-methyl-12,12-diphenyl-12-silapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),4,6,9,13,15,17,19-decaene

6-methyl-12,12-diphenyl-12-silapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),4,6,9,13,15,17,19-decaene (PubChem CID 153488316) has the molecular formula C33H24Si and a molecular weight of 448.64 g/mol. Its IUPAC name is 6-methyl-12,12-diphenyl-12-silapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),4,6,9,13,15,17,19-decaene.

Molecular Properties

Compound Name6-methyl-12,12-diphenyl-12-silapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),4,6,9,13,15,17,19-decaene
PubChem CID153488316
Molecular FormulaC33H24Si
Molecular Weight448.64 g/mol
Exact Mass448.16
IUPAC Name6-methyl-12,12-diphenyl-12-silapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),4,6,9,13,15,17,19-decaene
SMILESCc1ccc2c3c(ccc2c1)[Si](c1ccccc1)(c1ccccc1)c1cc2ccccc2cc1-3
InChIInChI=1S/C33H24Si/c1-23-16-18-29-26(20-23)17-19-31-33(29)30-21-24-10-8-9-11-25(24)22-32(30)34(31,27-12-4-2-5-13-27)28-14-6-3-7-15-28/h2-22H,1H3
InChIKeyXPUSJDHFROWMEU-UHFFFAOYSA-N
XLogP5.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.64
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 6-methyl-12,12-diphenyl-12-silapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),4,6,9,13,15,17,19-decaene with MolForge

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Related Compounds

2-methyl-5,5-diphenylanthra[2,1-b][1]benzosilole
CID 153488401
7-(3-methylphenyl)-7-phenylnaphtho[2,1-b][1]benzosilole
CID 153488383
5-(3-methylphenyl)-5-phenylanthra[2,1-b][1]benzosilole
CID 153488378
5-methyl-9,9-diphenyl-9-silapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene;17-methyl-9,9-diphenyl-9-silapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;18-methyl-9,9-diphenyl-9-silapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene;19-methyl-9,9-diphenyl-9-silapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene
CID 159334909
5-(4-methylphenyl)-5-phenylnaphtho[2,3-b][1]benzosilole
CID 153488427
18-methyl-12,12-diphenyl-12-silapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 153488322
dodecakis(2,2-dimethylpropane);5,5-diphenylbenzo[b][1]benzosilole;5,5-diphenylnaphtho[2,3-b][1]benzosilole;7,7-diphenylnaphtho[2,1-b][1]benzosilole;11,11-diphenylnaphtho[1,2-b][1]benzosilole;12,12-diphenyl-12-silapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12,12-diphenyl-12-silapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 165065368
9-methyl-11,11-diphenylphenanthro[1,2-b][1]benzosilole
CID 153488459
5-methyl-9,9-diphenyl-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
CID 148679241
benzene;2-methylnaphthalene
CID 159438891
18-methyl-10,10-diphenyl-10-silapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 153488342
7-methyl-5,5-diphenylanthra[2,1-b][1]benzosilole
CID 153488362

Frequently Asked Questions

What is the IUPAC name of 6-methyl-12,12-diphenyl-12-silapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),4,6,9,13,15,17,19-decaene?
The IUPAC name of 6-methyl-12,12-diphenyl-12-silapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),4,6,9,13,15,17,19-decaene (CID 153488316) is 6-methyl-12,12-diphenyl-12-silapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),4,6,9,13,15,17,19-decaene.
What is the SMILES notation for 6-methyl-12,12-diphenyl-12-silapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),4,6,9,13,15,17,19-decaene?
The canonical SMILES for 6-methyl-12,12-diphenyl-12-silapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),4,6,9,13,15,17,19-decaene is Cc1ccc2c3c(ccc2c1)[Si](c1ccccc1)(c1ccccc1)c1cc2ccccc2cc1-3.
What is the InChIKey of 6-methyl-12,12-diphenyl-12-silapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),4,6,9,13,15,17,19-decaene?
The InChIKey is XPUSJDHFROWMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24Si/c1-23-16-18-29-26(20-23)17-19-31-33(29)30-21-24-10-8-9-11-25(24)22-32(30)34(31,27-12-4-2-5-13-27)28-14-6-3-7-15-28/h2-22H,1H3.
What are the key properties of 6-methyl-12,12-diphenyl-12-silapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),4,6,9,13,15,17,19-decaene?
6-methyl-12,12-diphenyl-12-silapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),4,6,9,13,15,17,19-decaene has a molecular weight of 448.64 g/mol, XLogP of 5.66, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-12,12-diphenyl-12-silapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),4,6,9,13,15,17,19-decaene is sourced from PubChem (CID 153488316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).