5-(3-methylphenyl)-5-phenylanthra[2,1-b][1]benzosilole

C33H24Si — CID 153488378

IUPAC5-(3-methylphenyl)-5-phenylanthra[2,1-b][1]benzosilole
SMILESCc1cccc([Si]2(c3ccccc3)c3ccccc3-c3c2ccc2cc4ccccc4cc32)c1
InChIInChI=1S/C33H24Si/c1-23-10-9-15-28(20-23)34(27-13-3-2-4-14-27)31-17-8-7-16-29(31)33-30-22-25-12-6-5-11-24(25)21-26(30)18-19-32(33)34/h2-22H,1H3
InChIKeyJGFHQMHWEQIRLA-UHFFFAOYSA-N
MW448.64 g/mol
LogP5.66
Rot. Bonds2

About 5-(3-methylphenyl)-5-phenylanthra[2,1-b][1]benzosilole

5-(3-methylphenyl)-5-phenylanthra[2,1-b][1]benzosilole (PubChem CID 153488378) has the molecular formula C33H24Si and a molecular weight of 448.64 g/mol. Its IUPAC name is 5-(3-methylphenyl)-5-phenylanthra[2,1-b][1]benzosilole.

Molecular Properties

Compound Name5-(3-methylphenyl)-5-phenylanthra[2,1-b][1]benzosilole
PubChem CID153488378
Molecular FormulaC33H24Si
Molecular Weight448.64 g/mol
Exact Mass448.16
IUPAC Name5-(3-methylphenyl)-5-phenylanthra[2,1-b][1]benzosilole
SMILESCc1cccc([Si]2(c3ccccc3)c3ccccc3-c3c2ccc2cc4ccccc4cc32)c1
InChIInChI=1S/C33H24Si/c1-23-10-9-15-28(20-23)34(27-13-3-2-4-14-27)31-17-8-7-16-29(31)33-30-22-25-12-6-5-11-24(25)21-26(30)18-19-32(33)34/h2-22H,1H3
InChIKeyJGFHQMHWEQIRLA-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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

7-(3-methylphenyl)-7-phenylnaphtho[2,1-b][1]benzosilole
CID 153488383
2-methyl-5,5-diphenylanthra[2,1-b][1]benzosilole
CID 153488401
7-methyl-5,5-diphenylanthra[2,1-b][1]benzosilole
CID 153488362
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
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
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
CID 153488377
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
5-(4-methylphenyl)-5-phenylnaphtho[2,3-b][1]benzosilole
CID 153488427
bis(7,7-diphenylnaphtho[2,1-b][1]benzosilole);bis(21,21-diphenyl-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene);bis(spiro[benzo[b][1]benzosilole-5,7'-naphtho[2,1-b][1]benzosilole])
CID 157380469
5-methyl-12,12-diphenylanthra[1,2-b][1]benzosilole;6-methyl-12,12-diphenylanthra[1,2-b][1]benzosilole;9-methyl-12,12-diphenylanthra[1,2-b][1]benzosilole;10-methyl-12,12-diphenylanthra[1,2-b][1]benzosilole
CID 159345629
14-methyl-9,9-diphenyl-14-aza-9-silahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 140775274
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

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenyl)-5-phenylanthra[2,1-b][1]benzosilole?
The IUPAC name of 5-(3-methylphenyl)-5-phenylanthra[2,1-b][1]benzosilole (CID 153488378) is 5-(3-methylphenyl)-5-phenylanthra[2,1-b][1]benzosilole.
What is the SMILES notation for 5-(3-methylphenyl)-5-phenylanthra[2,1-b][1]benzosilole?
The canonical SMILES for 5-(3-methylphenyl)-5-phenylanthra[2,1-b][1]benzosilole is Cc1cccc([Si]2(c3ccccc3)c3ccccc3-c3c2ccc2cc4ccccc4cc32)c1.
What is the InChIKey of 5-(3-methylphenyl)-5-phenylanthra[2,1-b][1]benzosilole?
The InChIKey is JGFHQMHWEQIRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24Si/c1-23-10-9-15-28(20-23)34(27-13-3-2-4-14-27)31-17-8-7-16-29(31)33-30-22-25-12-6-5-11-24(25)21-26(30)18-19-32(33)34/h2-22H,1H3.
What are the key properties of 5-(3-methylphenyl)-5-phenylanthra[2,1-b][1]benzosilole?
5-(3-methylphenyl)-5-phenylanthra[2,1-b][1]benzosilole 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 5-(3-methylphenyl)-5-phenylanthra[2,1-b][1]benzosilole is sourced from PubChem (CID 153488378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).