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

C33H24Si — CID 153488393

IUPAC1-methyl-11,11-diphenylphenanthro[1,2-b][1]benzosilole
SMILESCc1cccc2c1ccc1c3c(ccc12)-c1ccccc1[Si]3(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H24Si/c1-23-11-10-17-27-26(23)19-21-30-28(27)20-22-31-29-16-8-9-18-32(29)34(33(30)31,24-12-4-2-5-13-24)25-14-6-3-7-15-25/h2-22H,1H3
InChIKeyCXRPCAYZZRUYPE-UHFFFAOYSA-N
MW448.64 g/mol
LogP5.66
Rot. Bonds2

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

1-methyl-11,11-diphenylphenanthro[1,2-b][1]benzosilole (PubChem CID 153488393) has the molecular formula C33H24Si and a molecular weight of 448.64 g/mol. Its IUPAC name is 1-methyl-11,11-diphenylphenanthro[1,2-b][1]benzosilole.

Molecular Properties

Compound Name1-methyl-11,11-diphenylphenanthro[1,2-b][1]benzosilole
PubChem CID153488393
Molecular FormulaC33H24Si
Molecular Weight448.64 g/mol
Exact Mass448.16
IUPAC Name1-methyl-11,11-diphenylphenanthro[1,2-b][1]benzosilole
SMILESCc1cccc2c1ccc1c3c(ccc12)-c1ccccc1[Si]3(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H24Si/c1-23-11-10-17-27-26(23)19-21-30-28(27)20-22-31-29-16-8-9-18-32(29)34(33(30)31,24-12-4-2-5-13-24)25-14-6-3-7-15-25/h2-22H,1H3
InChIKeyCXRPCAYZZRUYPE-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

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
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
5-(2-methylphenyl)-5-phenylbenzo[b][1]benzosilole
CID 58711206
9-methyl-11,11-diphenylphenanthro[1,2-b][1]benzosilole
CID 153488459
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
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
4-tert-butyl-5,5-diphenylbenzo[b][1]benzosilole
CID 166012590
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
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
2-methyl-6-(5-phenylbenzo[b][1]benzosilol-5-yl)pyridine
CID 140560435
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 1-methyl-11,11-diphenylphenanthro[1,2-b][1]benzosilole?
The IUPAC name of 1-methyl-11,11-diphenylphenanthro[1,2-b][1]benzosilole (CID 153488393) is 1-methyl-11,11-diphenylphenanthro[1,2-b][1]benzosilole.
What is the SMILES notation for 1-methyl-11,11-diphenylphenanthro[1,2-b][1]benzosilole?
The canonical SMILES for 1-methyl-11,11-diphenylphenanthro[1,2-b][1]benzosilole is Cc1cccc2c1ccc1c3c(ccc12)-c1ccccc1[Si]3(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-methyl-11,11-diphenylphenanthro[1,2-b][1]benzosilole?
The InChIKey is CXRPCAYZZRUYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24Si/c1-23-11-10-17-27-26(23)19-21-30-28(27)20-22-31-29-16-8-9-18-32(29)34(33(30)31,24-12-4-2-5-13-24)25-14-6-3-7-15-25/h2-22H,1H3.
What are the key properties of 1-methyl-11,11-diphenylphenanthro[1,2-b][1]benzosilole?
1-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 1-methyl-11,11-diphenylphenanthro[1,2-b][1]benzosilole is sourced from PubChem (CID 153488393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).