9-methyl-11,11-diphenylphenanthro[1,2-b][1]benzosilole

C33H24Si — CID 153488459

IUPAC9-methyl-11,11-diphenylphenanthro[1,2-b][1]benzosilole
SMILESCc1ccc2c(c1)[Si](c1ccccc1)(c1ccccc1)c1c-2ccc2c1ccc1ccccc12
InChIInChI=1S/C33H24Si/c1-23-16-18-29-31-21-20-28-27-15-9-8-10-24(27)17-19-30(28)33(31)34(32(29)22-23,25-11-4-2-5-12-25)26-13-6-3-7-14-26/h2-22H,1H3
InChIKeyHDVGBTXFFUPPSD-UHFFFAOYSA-N
MW448.64 g/mol
LogP5.66
Rot. Bonds2

About 9-methyl-11,11-diphenylphenanthro[1,2-b][1]benzosilole

9-methyl-11,11-diphenylphenanthro[1,2-b][1]benzosilole (PubChem CID 153488459) has the molecular formula C33H24Si and a molecular weight of 448.64 g/mol. Its IUPAC name is 9-methyl-11,11-diphenylphenanthro[1,2-b][1]benzosilole.

Molecular Properties

Compound Name9-methyl-11,11-diphenylphenanthro[1,2-b][1]benzosilole
PubChem CID153488459
Molecular FormulaC33H24Si
Molecular Weight448.64 g/mol
Exact Mass448.16
IUPAC Name9-methyl-11,11-diphenylphenanthro[1,2-b][1]benzosilole
SMILESCc1ccc2c(c1)[Si](c1ccccc1)(c1ccccc1)c1c-2ccc2c1ccc1ccccc12
InChIInChI=1S/C33H24Si/c1-23-16-18-29-31-21-20-28-27-15-9-8-10-24(27)17-19-30(28)33(31)34(32(29)22-23,25-11-4-2-5-12-25)26-13-6-3-7-14-26/h2-22H,1H3
InChIKeyHDVGBTXFFUPPSD-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_3', 'substructure': 'N/A'}

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Related Compounds

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
1-methyl-11,11-diphenylphenanthro[1,2-b][1]benzosilole
CID 153488393
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
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
5,14-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
18-methyl-21,21-diphenyl-4,11-diaza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15(20),16,18-decaene
CID 152972287
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-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
5-(4-methylphenyl)-5-phenylnaphtho[2,3-b][1]benzosilole
CID 153488427
5-methyl-21,21-diphenyl-18-aza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene
CID 147473216
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 9-methyl-11,11-diphenylphenanthro[1,2-b][1]benzosilole?
The IUPAC name of 9-methyl-11,11-diphenylphenanthro[1,2-b][1]benzosilole (CID 153488459) is 9-methyl-11,11-diphenylphenanthro[1,2-b][1]benzosilole.
What is the SMILES notation for 9-methyl-11,11-diphenylphenanthro[1,2-b][1]benzosilole?
The canonical SMILES for 9-methyl-11,11-diphenylphenanthro[1,2-b][1]benzosilole is Cc1ccc2c(c1)[Si](c1ccccc1)(c1ccccc1)c1c-2ccc2c1ccc1ccccc12.
What is the InChIKey of 9-methyl-11,11-diphenylphenanthro[1,2-b][1]benzosilole?
The InChIKey is HDVGBTXFFUPPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24Si/c1-23-16-18-29-31-21-20-28-27-15-9-8-10-24(27)17-19-30(28)33(31)34(32(29)22-23,25-11-4-2-5-12-25)26-13-6-3-7-14-26/h2-22H,1H3.
What are the key properties of 9-methyl-11,11-diphenylphenanthro[1,2-b][1]benzosilole?
9-methyl-11,11-diphenylphenanthro[1,2-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 9-methyl-11,11-diphenylphenanthro[1,2-b][1]benzosilole is sourced from PubChem (CID 153488459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).