7-methyl-5,5-diphenylanthra[2,1-b][1]benzosilole

C33H24Si — CID 153488362

IUPAC7-methyl-5,5-diphenylanthra[2,1-b][1]benzosilole
SMILESCc1cc2c(c3cc4ccccc4cc13)-c1ccccc1[Si]2(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H24Si/c1-23-20-32-33(30-22-25-13-9-8-12-24(25)21-29(23)30)28-18-10-11-19-31(28)34(32,26-14-4-2-5-15-26)27-16-6-3-7-17-27/h2-22H,1H3
InChIKeyFUTZZWPYIXWNRS-UHFFFAOYSA-N
MW448.64 g/mol
LogP5.66
Rot. Bonds2

About 7-methyl-5,5-diphenylanthra[2,1-b][1]benzosilole

7-methyl-5,5-diphenylanthra[2,1-b][1]benzosilole (PubChem CID 153488362) has the molecular formula C33H24Si and a molecular weight of 448.64 g/mol. Its IUPAC name is 7-methyl-5,5-diphenylanthra[2,1-b][1]benzosilole.

Molecular Properties

Compound Name7-methyl-5,5-diphenylanthra[2,1-b][1]benzosilole
PubChem CID153488362
Molecular FormulaC33H24Si
Molecular Weight448.64 g/mol
Exact Mass448.16
IUPAC Name7-methyl-5,5-diphenylanthra[2,1-b][1]benzosilole
SMILESCc1cc2c(c3cc4ccccc4cc13)-c1ccccc1[Si]2(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H24Si/c1-23-20-32-33(30-22-25-13-9-8-12-24(25)21-29(23)30)28-18-10-11-19-31(28)34(32,26-14-4-2-5-15-26)27-16-6-3-7-17-27/h2-22H,1H3
InChIKeyFUTZZWPYIXWNRS-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

5-(3-methylphenyl)-5-phenylanthra[2,1-b][1]benzosilole
CID 153488378
7-(3-methylphenyl)-7-phenylnaphtho[2,1-b][1]benzosilole
CID 153488383
5-(2-methylphenyl)-5-phenylbenzo[b][1]benzosilole
CID 58711206
2-methyl-5,5-diphenylanthra[2,1-b][1]benzosilole
CID 153488401
5-(4-methylphenyl)-5-phenylnaphtho[2,3-b][1]benzosilole
CID 153488427
12-methyl-16,16-diphenyl-12-aza-16-silahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,10,13,15(23),17,19,21-undecaene
CID 140775315
2,3,7,8-tetramethyl-5,5-diphenylbenzo[b][1]benzosilole
CID 59096237
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
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
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
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

Frequently Asked Questions

What is the IUPAC name of 7-methyl-5,5-diphenylanthra[2,1-b][1]benzosilole?
The IUPAC name of 7-methyl-5,5-diphenylanthra[2,1-b][1]benzosilole (CID 153488362) is 7-methyl-5,5-diphenylanthra[2,1-b][1]benzosilole.
What is the SMILES notation for 7-methyl-5,5-diphenylanthra[2,1-b][1]benzosilole?
The canonical SMILES for 7-methyl-5,5-diphenylanthra[2,1-b][1]benzosilole is Cc1cc2c(c3cc4ccccc4cc13)-c1ccccc1[Si]2(c1ccccc1)c1ccccc1.
What is the InChIKey of 7-methyl-5,5-diphenylanthra[2,1-b][1]benzosilole?
The InChIKey is FUTZZWPYIXWNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24Si/c1-23-20-32-33(30-22-25-13-9-8-12-24(25)21-29(23)30)28-18-10-11-19-31(28)34(32,26-14-4-2-5-15-26)27-16-6-3-7-17-27/h2-22H,1H3.
What are the key properties of 7-methyl-5,5-diphenylanthra[2,1-b][1]benzosilole?
7-methyl-5,5-diphenylanthra[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 7-methyl-5,5-diphenylanthra[2,1-b][1]benzosilole is sourced from PubChem (CID 153488362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).