7-(3-methylphenyl)-7-phenylnaphtho[2,1-b][1]benzosilole

C29H22Si — CID 153488383

IUPAC7-(3-methylphenyl)-7-phenylnaphtho[2,1-b][1]benzosilole
SMILESCc1cccc([Si]2(c3ccccc3)c3ccccc3-c3c2ccc2ccccc32)c1
InChIInChI=1S/C29H22Si/c1-21-10-9-14-24(20-21)30(23-12-3-2-4-13-23)27-17-8-7-16-26(27)29-25-15-6-5-11-22(25)18-19-28(29)30/h2-20H,1H3
InChIKeySHQYYZOUGQGRDW-UHFFFAOYSA-N
MW398.58 g/mol
LogP4.51
Rot. Bonds2

About 7-(3-methylphenyl)-7-phenylnaphtho[2,1-b][1]benzosilole

7-(3-methylphenyl)-7-phenylnaphtho[2,1-b][1]benzosilole (PubChem CID 153488383) has the molecular formula C29H22Si and a molecular weight of 398.58 g/mol. Its IUPAC name is 7-(3-methylphenyl)-7-phenylnaphtho[2,1-b][1]benzosilole.

Molecular Properties

Compound Name7-(3-methylphenyl)-7-phenylnaphtho[2,1-b][1]benzosilole
PubChem CID153488383
Molecular FormulaC29H22Si
Molecular Weight398.58 g/mol
Exact Mass398.15
IUPAC Name7-(3-methylphenyl)-7-phenylnaphtho[2,1-b][1]benzosilole
SMILESCc1cccc([Si]2(c3ccccc3)c3ccccc3-c3c2ccc2ccccc32)c1
InChIInChI=1S/C29H22Si/c1-21-10-9-14-24(20-21)30(23-12-3-2-4-13-23)27-17-8-7-16-26(27)29-25-15-6-5-11-22(25)18-19-28(29)30/h2-20H,1H3
InChIKeySHQYYZOUGQGRDW-UHFFFAOYSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.58
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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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
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
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
2-methyl-5,5-diphenylanthra[2,1-b][1]benzosilole
CID 153488401
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
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
7-methyl-5,5-diphenylanthra[2,1-b][1]benzosilole
CID 153488362
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
14-(3-methylphenyl)-14-phenyl-10-thia-14-silapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 147689872
5-(4-methylphenyl)-5-phenylnaphtho[2,3-b][1]benzosilole
CID 153488427

Frequently Asked Questions

What is the IUPAC name of 7-(3-methylphenyl)-7-phenylnaphtho[2,1-b][1]benzosilole?
The IUPAC name of 7-(3-methylphenyl)-7-phenylnaphtho[2,1-b][1]benzosilole (CID 153488383) is 7-(3-methylphenyl)-7-phenylnaphtho[2,1-b][1]benzosilole.
What is the SMILES notation for 7-(3-methylphenyl)-7-phenylnaphtho[2,1-b][1]benzosilole?
The canonical SMILES for 7-(3-methylphenyl)-7-phenylnaphtho[2,1-b][1]benzosilole is Cc1cccc([Si]2(c3ccccc3)c3ccccc3-c3c2ccc2ccccc32)c1.
What is the InChIKey of 7-(3-methylphenyl)-7-phenylnaphtho[2,1-b][1]benzosilole?
The InChIKey is SHQYYZOUGQGRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22Si/c1-21-10-9-14-24(20-21)30(23-12-3-2-4-13-23)27-17-8-7-16-26(27)29-25-15-6-5-11-22(25)18-19-28(29)30/h2-20H,1H3.
What are the key properties of 7-(3-methylphenyl)-7-phenylnaphtho[2,1-b][1]benzosilole?
7-(3-methylphenyl)-7-phenylnaphtho[2,1-b][1]benzosilole has a molecular weight of 398.58 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methylphenyl)-7-phenylnaphtho[2,1-b][1]benzosilole is sourced from PubChem (CID 153488383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).