5,14-dimethyl-8,8-diphenyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene

C30H24Si — CID 176637820

IUPAC5,14-dimethyl-8,8-diphenyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene
SMILESCc1ccc2c(c1)[Si](c1ccccc1)(c1ccccc1)c1cccc3c(C)ccc-2c13
InChIInChI=1S/C30H24Si/c1-21-16-18-26-27-19-17-22(2)25-14-9-15-28(30(25)27)31(29(26)20-21,23-10-5-3-6-11-23)24-12-7-4-8-13-24/h3-20H,1-2H3
InChIKeyISWINTDTUHMMEJ-UHFFFAOYSA-N
MW412.61 g/mol
LogP4.81
Rot. Bonds2

About 5,14-dimethyl-8,8-diphenyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene

5,14-dimethyl-8,8-diphenyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene (PubChem CID 176637820) has the molecular formula C30H24Si and a molecular weight of 412.61 g/mol. Its IUPAC name is 5,14-dimethyl-8,8-diphenyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene.

Molecular Properties

Compound Name5,14-dimethyl-8,8-diphenyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene
PubChem CID176637820
Molecular FormulaC30H24Si
Molecular Weight412.61 g/mol
Exact Mass412.16
IUPAC Name5,14-dimethyl-8,8-diphenyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene
SMILESCc1ccc2c(c1)[Si](c1ccccc1)(c1ccccc1)c1cccc3c(C)ccc-2c13
InChIInChI=1S/C30H24Si/c1-21-16-18-26-27-19-17-22(2)25-14-9-15-28(30(25)27)31(29(26)20-21,23-10-5-3-6-11-23)24-12-7-4-8-13-24/h3-20H,1-2H3
InChIKeyISWINTDTUHMMEJ-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.61
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5,14-dimethyl-8,8-diphenyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene with MolForge

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Related Compounds

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CID 59167435
17-methyl-14,14-diphenyl-10-oxa-14-silapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15(20),16,18-nonaene
CID 149181119
1-methyl-11,11-diphenylphenanthro[1,2-b][1]benzosilole
CID 153488393
9-methyl-11,11-diphenylphenanthro[1,2-b][1]benzosilole
CID 153488459
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
5-(2-methylphenyl)-5-phenylbenzo[b][1]benzosilole
CID 58711206
2,3,7,8-tetramethyl-5,5-diphenylbenzo[b][1]benzosilole
CID 59096237
(5S)-5-tert-butyl-3-methyl-5-phenylbenzo[b][1]benzosilole
CID 102487155
14-(3-methylphenyl)-14-phenyl-10-thia-14-silapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 147689872
5-(4-methylphenyl)-5-phenylnaphtho[2,3-b][1]benzosilole
CID 153488427
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
8,8-diphenyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 59718161

Frequently Asked Questions

What is the IUPAC name of 5,14-dimethyl-8,8-diphenyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene?
The IUPAC name of 5,14-dimethyl-8,8-diphenyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene (CID 176637820) is 5,14-dimethyl-8,8-diphenyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene.
What is the SMILES notation for 5,14-dimethyl-8,8-diphenyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene?
The canonical SMILES for 5,14-dimethyl-8,8-diphenyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene is Cc1ccc2c(c1)[Si](c1ccccc1)(c1ccccc1)c1cccc3c(C)ccc-2c13.
What is the InChIKey of 5,14-dimethyl-8,8-diphenyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene?
The InChIKey is ISWINTDTUHMMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24Si/c1-21-16-18-26-27-19-17-22(2)25-14-9-15-28(30(25)27)31(29(26)20-21,23-10-5-3-6-11-23)24-12-7-4-8-13-24/h3-20H,1-2H3.
What are the key properties of 5,14-dimethyl-8,8-diphenyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene?
5,14-dimethyl-8,8-diphenyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene has a molecular weight of 412.61 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,14-dimethyl-8,8-diphenyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene is sourced from PubChem (CID 176637820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).