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

C33H24Si — CID 153488401

IUPAC2-methyl-5,5-diphenylanthra[2,1-b][1]benzosilole
SMILESCc1ccc2c(c1)-c1c(ccc3cc4ccccc4cc13)[Si]2(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H24Si/c1-23-16-18-31-30(20-23)33-29-22-25-11-9-8-10-24(25)21-26(29)17-19-32(33)34(31,27-12-4-2-5-13-27)28-14-6-3-7-15-28/h2-22H,1H3
InChIKeyUERGULPLXPMLIF-UHFFFAOYSA-N
MW448.64 g/mol
LogP5.66
Rot. Bonds2

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

2-methyl-5,5-diphenylanthra[2,1-b][1]benzosilole (PubChem CID 153488401) has the molecular formula C33H24Si and a molecular weight of 448.64 g/mol. Its IUPAC name is 2-methyl-5,5-diphenylanthra[2,1-b][1]benzosilole.

Molecular Properties

Compound Name2-methyl-5,5-diphenylanthra[2,1-b][1]benzosilole
PubChem CID153488401
Molecular FormulaC33H24Si
Molecular Weight448.64 g/mol
Exact Mass448.16
IUPAC Name2-methyl-5,5-diphenylanthra[2,1-b][1]benzosilole
SMILESCc1ccc2c(c1)-c1c(ccc3cc4ccccc4cc13)[Si]2(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H24Si/c1-23-16-18-31-30(20-23)33-29-22-25-11-9-8-10-24(25)21-26(29)17-19-32(33)34(31,27-12-4-2-5-13-27)28-14-6-3-7-15-28/h2-22H,1H3
InChIKeyUERGULPLXPMLIF-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'}

Analyze 2-methyl-5,5-diphenylanthra[2,1-b][1]benzosilole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-methylphenyl)-5-phenylanthra[2,1-b][1]benzosilole
CID 153488378
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
7-(3-methylphenyl)-7-phenylnaphtho[2,1-b][1]benzosilole
CID 153488383
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
7-methyl-5,5-diphenylanthra[2,1-b][1]benzosilole
CID 153488362
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
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
3,7-dimethyl-5,5-diphenylbenzo[b][1]benzosilole
CID 59167435
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
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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,5-diphenylanthra[2,1-b][1]benzosilole?
The IUPAC name of 2-methyl-5,5-diphenylanthra[2,1-b][1]benzosilole (CID 153488401) is 2-methyl-5,5-diphenylanthra[2,1-b][1]benzosilole.
What is the SMILES notation for 2-methyl-5,5-diphenylanthra[2,1-b][1]benzosilole?
The canonical SMILES for 2-methyl-5,5-diphenylanthra[2,1-b][1]benzosilole is Cc1ccc2c(c1)-c1c(ccc3cc4ccccc4cc13)[Si]2(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-methyl-5,5-diphenylanthra[2,1-b][1]benzosilole?
The InChIKey is UERGULPLXPMLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24Si/c1-23-16-18-31-30(20-23)33-29-22-25-11-9-8-10-24(25)21-26(29)17-19-32(33)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 2-methyl-5,5-diphenylanthra[2,1-b][1]benzosilole?
2-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 2-methyl-5,5-diphenylanthra[2,1-b][1]benzosilole is sourced from PubChem (CID 153488401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).