12-(5,5-dimethyl-2,4-diphenyl-[1]benzosilolo[3,2-d]pyrimidin-7-yl)-[1]benzofuro[2,3-a]carbazole

C42H29N3OSi — CID 164730372

IUPAC12-(5,5-dimethyl-2,4-diphenyl-[1]benzosilolo[3,2-d]pyrimidin-7-yl)-[1]benzofuro[2,3-a]carbazole
SMILESC[Si]1(C)c2cc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)c21
InChIInChI=1S/C42H29N3OSi/c1-47(2)36-25-28(45-34-19-11-9-17-29(34)31-23-24-32-30-18-10-12-20-35(30)46-40(32)39(31)45)21-22-33(36)38-41(47)37(26-13-5-3-6-14-26)43-42(44-38)27-15-7-4-8-16-27/h3-25H,1-2H3
InChIKeyUHDRITQNJVAFMN-UHFFFAOYSA-N
MW619.80 g/mol
LogP9.61
Rot. Bonds3

About 12-(5,5-dimethyl-2,4-diphenyl-[1]benzosilolo[3,2-d]pyrimidin-7-yl)-[1]benzofuro[2,3-a]carbazole

12-(5,5-dimethyl-2,4-diphenyl-[1]benzosilolo[3,2-d]pyrimidin-7-yl)-[1]benzofuro[2,3-a]carbazole (PubChem CID 164730372) has the molecular formula C42H29N3OSi and a molecular weight of 619.80 g/mol. Its IUPAC name is 12-(5,5-dimethyl-2,4-diphenyl-[1]benzosilolo[3,2-d]pyrimidin-7-yl)-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name12-(5,5-dimethyl-2,4-diphenyl-[1]benzosilolo[3,2-d]pyrimidin-7-yl)-[1]benzofuro[2,3-a]carbazole
PubChem CID164730372
Molecular FormulaC42H29N3OSi
Molecular Weight619.80 g/mol
Exact Mass619.21
IUPAC Name12-(5,5-dimethyl-2,4-diphenyl-[1]benzosilolo[3,2-d]pyrimidin-7-yl)-[1]benzofuro[2,3-a]carbazole
SMILESC[Si]1(C)c2cc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)c21
InChIInChI=1S/C42H29N3OSi/c1-47(2)36-25-28(45-34-19-11-9-17-29(34)31-23-24-32-30-18-10-12-20-35(30)46-40(32)39(31)45)21-22-33(36)38-41(47)37(26-13-5-3-6-14-26)43-42(44-38)27-15-7-4-8-16-27/h3-25H,1-2H3
InChIKeyUHDRITQNJVAFMN-UHFFFAOYSA-N
XLogP9.61
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.80
LogP ≤ 59.61
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

12-(2,4,5,5-tetraphenyl-[1]benzosilolo[3,2-d]pyrimidin-7-yl)-[1]benzofuro[2,3-a]carbazole
CID 164730367
12-(5,5-dimethyl-2-phenyl-[1]benzosilolo[3,2-d]pyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole
CID 140805176
5,5-dimethyl-2,4-diphenyl-7-(12-phenylindolo[3,2-c]carbazol-5-yl)-[1]benzosilolo[3,2-d]pyrimidine
CID 164730405
12-[4-(5,5-dimethyl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 140805693
7-(5,5-dimethyl-2,4-diphenyl-[1]benzosilolo[3,2-d]pyrimidin-7-yl)-[1]benzothiolo[2,3-b]carbazole
CID 164730307
12-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 126580353
12-[3-[6-[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]quinazolin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 126631023
5,5-dimethyl-4-phenyl-2-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-[1]benzosilolo[3,2-d]pyrimidine
CID 140805334
12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(3,4-diphenylphenyl)indolo[2,3-a]carbazole
CID 165165583
12-[4-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 129254550
3-methyl-12-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 163974052
12-[3-[2,6-bis[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 126630911

Frequently Asked Questions

What is the IUPAC name of 12-(5,5-dimethyl-2,4-diphenyl-[1]benzosilolo[3,2-d]pyrimidin-7-yl)-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 12-(5,5-dimethyl-2,4-diphenyl-[1]benzosilolo[3,2-d]pyrimidin-7-yl)-[1]benzofuro[2,3-a]carbazole (CID 164730372) is 12-(5,5-dimethyl-2,4-diphenyl-[1]benzosilolo[3,2-d]pyrimidin-7-yl)-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 12-(5,5-dimethyl-2,4-diphenyl-[1]benzosilolo[3,2-d]pyrimidin-7-yl)-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 12-(5,5-dimethyl-2,4-diphenyl-[1]benzosilolo[3,2-d]pyrimidin-7-yl)-[1]benzofuro[2,3-a]carbazole is C[Si]1(C)c2cc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)c21.
What is the InChIKey of 12-(5,5-dimethyl-2,4-diphenyl-[1]benzosilolo[3,2-d]pyrimidin-7-yl)-[1]benzofuro[2,3-a]carbazole?
The InChIKey is UHDRITQNJVAFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N3OSi/c1-47(2)36-25-28(45-34-19-11-9-17-29(34)31-23-24-32-30-18-10-12-20-35(30)46-40(32)39(31)45)21-22-33(36)38-41(47)37(26-13-5-3-6-14-26)43-42(44-38)27-15-7-4-8-16-27/h3-25H,1-2H3.
What are the key properties of 12-(5,5-dimethyl-2,4-diphenyl-[1]benzosilolo[3,2-d]pyrimidin-7-yl)-[1]benzofuro[2,3-a]carbazole?
12-(5,5-dimethyl-2,4-diphenyl-[1]benzosilolo[3,2-d]pyrimidin-7-yl)-[1]benzofuro[2,3-a]carbazole has a molecular weight of 619.80 g/mol, XLogP of 9.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(5,5-dimethyl-2,4-diphenyl-[1]benzosilolo[3,2-d]pyrimidin-7-yl)-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 164730372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).