7-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzofuro[2,3-b]carbazole

C36H25N3OSi — CID 140805126

IUPAC7-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzofuro[2,3-b]carbazole
SMILESC[Si]1(C)c2ccccc2-c2c(-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)nc(-c3ccccc3)nc21
InChIInChI=1S/C36H25N3OSi/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)26-20-27-24-15-7-10-18-30(24)40-31(27)21-29(26)39/h3-21H,1-2H3
InChIKeyLDLFWBBONKQOSG-UHFFFAOYSA-N
MW543.70 g/mol
LogP7.94
Rot. Bonds2

About 7-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzofuro[2,3-b]carbazole

7-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzofuro[2,3-b]carbazole (PubChem CID 140805126) has the molecular formula C36H25N3OSi and a molecular weight of 543.70 g/mol. Its IUPAC name is 7-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name7-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzofuro[2,3-b]carbazole
PubChem CID140805126
Molecular FormulaC36H25N3OSi
Molecular Weight543.70 g/mol
Exact Mass543.18
IUPAC Name7-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzofuro[2,3-b]carbazole
SMILESC[Si]1(C)c2ccccc2-c2c(-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)nc(-c3ccccc3)nc21
InChIInChI=1S/C36H25N3OSi/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)26-20-27-24-15-7-10-18-30(24)40-31(27)21-29(26)39/h3-21H,1-2H3
InChIKeyLDLFWBBONKQOSG-UHFFFAOYSA-N
XLogP7.94
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.70
LogP ≤ 57.94
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

11-(2,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzofuro[3,2-b]carbazole
CID 140805712
11-[4-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
CID 140805393
11-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-b]carbazole
CID 140805573
7-[2-(5,5-dimethyl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 140804920
7-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole
CID 164955673
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzofuro[2,3-b]carbazole
CID 146280840
9,9-dimethyl-4-phenyl-2-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine
CID 140805344
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,18-dioxa-11-azaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
CID 118301187
2-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 163733499
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]carbazole;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 160917779
19-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 140957360
7-[5-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]carbazole
CID 153460323

Frequently Asked Questions

What is the IUPAC name of 7-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 7-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzofuro[2,3-b]carbazole (CID 140805126) is 7-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 7-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 7-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzofuro[2,3-b]carbazole is C[Si]1(C)c2ccccc2-c2c(-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)nc(-c3ccccc3)nc21.
What is the InChIKey of 7-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzofuro[2,3-b]carbazole?
The InChIKey is LDLFWBBONKQOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25N3OSi/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)26-20-27-24-15-7-10-18-30(24)40-31(27)21-29(26)39/h3-21H,1-2H3.
What are the key properties of 7-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzofuro[2,3-b]carbazole?
7-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzofuro[2,3-b]carbazole has a molecular weight of 543.70 g/mol, XLogP of 7.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 140805126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).