11-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-b]carbazole

C36H25N3SSi — CID 140805573

IUPAC11-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-b]carbazole
SMILESC[Si]1(C)c2ccccc2-c2c(-n3c4ccccc4c4cc5sc6ccccc6c5cc43)nc(-c3ccccc3)nc21
InChIInChI=1S/C36H25N3SSi/c1-41(2)32-19-11-8-16-25(32)33-35(37-34(38-36(33)41)22-12-4-3-5-13-22)39-28-17-9-6-14-23(28)26-21-31-27(20-29(26)39)24-15-7-10-18-30(24)40-31/h3-21H,1-2H3
InChIKeyCRNDSKLSZVFXEN-UHFFFAOYSA-N
MW559.77 g/mol
LogP8.41
Rot. Bonds2

About 11-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-b]carbazole

11-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-b]carbazole (PubChem CID 140805573) has the molecular formula C36H25N3SSi and a molecular weight of 559.77 g/mol. Its IUPAC name is 11-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-b]carbazole.

Molecular Properties

Compound Name11-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-b]carbazole
PubChem CID140805573
Molecular FormulaC36H25N3SSi
Molecular Weight559.77 g/mol
Exact Mass559.15
IUPAC Name11-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-b]carbazole
SMILESC[Si]1(C)c2ccccc2-c2c(-n3c4ccccc4c4cc5sc6ccccc6c5cc43)nc(-c3ccccc3)nc21
InChIInChI=1S/C36H25N3SSi/c1-41(2)32-19-11-8-16-25(32)33-35(37-34(38-36(33)41)22-12-4-3-5-13-22)39-28-17-9-6-14-23(28)26-21-31-27(20-29(26)39)24-15-7-10-18-30(24)40-31/h3-21H,1-2H3
InChIKeyCRNDSKLSZVFXEN-UHFFFAOYSA-N
XLogP8.41
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.77
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzofuro[2,3-b]carbazole
CID 140805126
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole
CID 67472142
2,9,9-triphenyl-4-(5-phenylindolo[3,2-b]carbazol-11-yl)-[1]benzosilolo[2,3-d]pyrimidine
CID 140804986
11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]-[1]benzothiolo[3,2-b]carbazole
CID 153460232
7-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-[1]benzothiolo[2,3-b]carbazole
CID 130334173
7-[2-(2,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 140805444
5-[3-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 140805562
11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzothiolo[3,2-b]carbazole
CID 164779105
11-(2,4-diphenylquinazolin-6-yl)-[1]benzothiolo[3,2-b]carbazole
CID 147747131
11-[5-(3,4-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzothiolo[3,2-b]carbazole
CID 147401604
13-([1]benzothiolo[3,2-b]carbazol-11-yl)-15-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
CID 170371391
11-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole
CID 149371040

Frequently Asked Questions

What is the IUPAC name of 11-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-b]carbazole?
The IUPAC name of 11-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-b]carbazole (CID 140805573) is 11-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-b]carbazole.
What is the SMILES notation for 11-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-b]carbazole?
The canonical SMILES for 11-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-b]carbazole is C[Si]1(C)c2ccccc2-c2c(-n3c4ccccc4c4cc5sc6ccccc6c5cc43)nc(-c3ccccc3)nc21.
What is the InChIKey of 11-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-b]carbazole?
The InChIKey is CRNDSKLSZVFXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25N3SSi/c1-41(2)32-19-11-8-16-25(32)33-35(37-34(38-36(33)41)22-12-4-3-5-13-22)39-28-17-9-6-14-23(28)26-21-31-27(20-29(26)39)24-15-7-10-18-30(24)40-31/h3-21H,1-2H3.
What are the key properties of 11-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-b]carbazole?
11-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-b]carbazole has a molecular weight of 559.77 g/mol, XLogP of 8.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-b]carbazole is sourced from PubChem (CID 140805573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).