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

C52H33N3OSi — CID 164730367

IUPAC12-(2,4,5,5-tetraphenyl-[1]benzosilolo[3,2-d]pyrimidin-7-yl)-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)c3c(n2)-c2ccc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)cc2[Si]3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C52H33N3OSi/c1-5-17-34(18-6-1)47-51-48(54-52(53-47)35-19-7-2-8-20-35)43-30-29-36(33-46(43)57(51,37-21-9-3-10-22-37)38-23-11-4-12-24-38)55-44-27-15-13-25-39(44)41-31-32-42-40-26-14-16-28-45(40)56-50(42)49(41)55/h1-33H
InChIKeyRVMYOLIGXQZZIN-UHFFFAOYSA-N
MW743.94 g/mol
LogP10.16
Rot. Bonds5

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

12-(2,4,5,5-tetraphenyl-[1]benzosilolo[3,2-d]pyrimidin-7-yl)-[1]benzofuro[2,3-a]carbazole (PubChem CID 164730367) has the molecular formula C52H33N3OSi and a molecular weight of 743.94 g/mol. Its IUPAC name is 12-(2,4,5,5-tetraphenyl-[1]benzosilolo[3,2-d]pyrimidin-7-yl)-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name12-(2,4,5,5-tetraphenyl-[1]benzosilolo[3,2-d]pyrimidin-7-yl)-[1]benzofuro[2,3-a]carbazole
PubChem CID164730367
Molecular FormulaC52H33N3OSi
Molecular Weight743.94 g/mol
Exact Mass743.24
IUPAC Name12-(2,4,5,5-tetraphenyl-[1]benzosilolo[3,2-d]pyrimidin-7-yl)-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)c3c(n2)-c2ccc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)cc2[Si]3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C52H33N3OSi/c1-5-17-34(18-6-1)47-51-48(54-52(53-47)35-19-7-2-8-20-35)43-30-29-36(33-46(43)57(51,37-21-9-3-10-22-37)38-23-11-4-12-24-38)55-44-27-15-13-25-39(44)41-31-32-42-40-26-14-16-28-45(40)56-50(42)49(41)55/h1-33H
InChIKeyRVMYOLIGXQZZIN-UHFFFAOYSA-N
XLogP10.16
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.94
LogP ≤ 510.16
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-(5,5-dimethyl-2,4-diphenyl-[1]benzosilolo[3,2-d]pyrimidin-7-yl)-[1]benzofuro[2,3-a]carbazole
CID 164730372
5-[4-(4,5,5-triphenyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 140805170
5-[4-(2,5,5-triphenyl-[1]benzosilolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 140805004
12-(5,5-dimethyl-2-phenyl-[1]benzosilolo[3,2-d]pyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole
CID 140805176
11-(2,4,5,5-tetraphenyl-[1]benzosilolo[3,2-d]pyrimidin-7-yl)-[1]benzothiolo[3,2-b]carbazole
CID 164730389
12-[4-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 129254550
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
14-[4-(2,5,5-triphenyl-[1]benzosilolo[3,2-d]pyrimidin-4-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 140805246
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-(5-phenylnaphthalen-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 118502601
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-(2,4,5,5-tetraphenyl-[1]benzosilolo[3,2-d]pyrimidin-7-yl)-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 12-(2,4,5,5-tetraphenyl-[1]benzosilolo[3,2-d]pyrimidin-7-yl)-[1]benzofuro[2,3-a]carbazole (CID 164730367) is 12-(2,4,5,5-tetraphenyl-[1]benzosilolo[3,2-d]pyrimidin-7-yl)-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 12-(2,4,5,5-tetraphenyl-[1]benzosilolo[3,2-d]pyrimidin-7-yl)-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 12-(2,4,5,5-tetraphenyl-[1]benzosilolo[3,2-d]pyrimidin-7-yl)-[1]benzofuro[2,3-a]carbazole is c1ccc(-c2nc(-c3ccccc3)c3c(n2)-c2ccc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)cc2[Si]3(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 12-(2,4,5,5-tetraphenyl-[1]benzosilolo[3,2-d]pyrimidin-7-yl)-[1]benzofuro[2,3-a]carbazole?
The InChIKey is RVMYOLIGXQZZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N3OSi/c1-5-17-34(18-6-1)47-51-48(54-52(53-47)35-19-7-2-8-20-35)43-30-29-36(33-46(43)57(51,37-21-9-3-10-22-37)38-23-11-4-12-24-38)55-44-27-15-13-25-39(44)41-31-32-42-40-26-14-16-28-45(40)56-50(42)49(41)55/h1-33H.
What are the key properties of 12-(2,4,5,5-tetraphenyl-[1]benzosilolo[3,2-d]pyrimidin-7-yl)-[1]benzofuro[2,3-a]carbazole?
12-(2,4,5,5-tetraphenyl-[1]benzosilolo[3,2-d]pyrimidin-7-yl)-[1]benzofuro[2,3-a]carbazole has a molecular weight of 743.94 g/mol, XLogP of 10.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(2,4,5,5-tetraphenyl-[1]benzosilolo[3,2-d]pyrimidin-7-yl)-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 164730367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).