4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidine;12-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzofuro[3,2-a]carbazole;12-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-a]carbazole;9,9-dimethyl-2-phenyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)-[1]benzosilolo[2,3-d]pyrimidine

C153H111N13OSSi4 — CID 158929695

About 4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidine;12-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzofuro[3,2-a]carbazole;12-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-a]carbazole;9,9-dimethyl-2-phenyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)-[1]benzosilolo[2,3-d]pyrimidine

4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidine;12-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzofuro[3,2-a]carbazole;12-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-a]carbazole;9,9-dimethyl-2-phenyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)-[1]benzosilolo[2,3-d]pyrimidine (PubChem CID 158929695) has the molecular formula C153H111N13OSSi4 and a molecular weight of 2292.07 g/mol. Its IUPAC name is 4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidine;12-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzofuro[3,2-a]carbazole;12-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-a]carbazole;9,9-dimethyl-2-phenyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)-[1]benzosilolo[2,3-d]pyrimidine.

Molecular Properties

• Compound Name: 4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidine;12-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzofuro[3,2-a]carbazole;12-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-a]carbazole;9,9-dimethyl-2-phenyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)-[1]benzosilolo[2,3-d]pyrimidine
• PubChem CID: 158929695
• Molecular Formula: C153H111N13OSSi4
• Molecular Weight: 2292.07 g/mol
• Exact Mass: 2289.78
• IUPAC Name: 4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidine;12-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzofuro[3,2-a]carbazole;12-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-a]carbazole;9,9-dimethyl-2-phenyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)-[1]benzosilolo[2,3-d]pyrimidine
• SMILES: CC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3nc(-c4ccccc4)nc4c3-c3ccccc3[Si]4(C)C)c21.C[Si]1(C)c2ccccc2-c2c(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)nc(-c3ccccc3)nc21.C[Si]1(C)c2ccccc2-c2c(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)nc(-c3ccccc3)nc21.C[Si]1(C)c2ccccc2-c2c(-n3c4ccccc4c4ccc5sc6ccccc6c5c43)nc(-c3ccccc3)nc21
• InChI: InChI=1S/C42H30N4Si.C39H31N3Si.C36H25N3OSi.C36H25N3SSi/c1-47(2)36-24-14-11-21-32(36)38-41(43-40(44-42(38)47)27-15-5-3-6-16-27)46-33-22-12-9-19-29(33)30-25-26-35-37(39(30)46)31-20-10-13-23-34(31)45(35)28-17-7-4-8-18-28;1-39(2)29-19-11-8-17-27(29)33-30(39)23-22-26-25-16-9-12-20-31(25)42(35(26)33)37-34-28-18-10-13-21-32(28)43(3,4)38(34)41-36(40-37)24-14-6-5-7-15-24;2*1-41(2)30-19-11-8-16-26(30)32-35(37-34(38-36(32)41)22-12-4-3-5-13-22)39-27-17-9-6-14-23(27)24-20-21-29-31(33(24)39)25-15-7-10-18-28(25)40-29/h3-26H,1-2H3;5-23H,1-4H3;2*3-21H,1-2H3
• InChIKey: JIWWSNOLPTVUPC-UHFFFAOYSA-N
• XLogP: 33.85
• TPSA: 140.91 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2292.07
LogP ≤ 5	33.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidine;12-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzofuro[3,2-a]carbazole;12-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-a]carbazole;9,9-dimethyl-2-phenyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)-[1]benzosilolo[2,3-d]pyrimidine?

The IUPAC name of 4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidine;12-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzofuro[3,2-a]carbazole;12-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-a]carbazole;9,9-dimethyl-2-phenyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)-[1]benzosilolo[2,3-d]pyrimidine (CID 158929695) is 4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidine;12-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzofuro[3,2-a]carbazole;12-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-a]carbazole;9,9-dimethyl-2-phenyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)-[1]benzosilolo[2,3-d]pyrimidine.

What is the SMILES notation for 4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidine;12-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzofuro[3,2-a]carbazole;12-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-a]carbazole;9,9-dimethyl-2-phenyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)-[1]benzosilolo[2,3-d]pyrimidine?

The canonical SMILES for 4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidine;12-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzofuro[3,2-a]carbazole;12-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-a]carbazole;9,9-dimethyl-2-phenyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)-[1]benzosilolo[2,3-d]pyrimidine is CC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3nc(-c4ccccc4)nc4c3-c3ccccc3[Si]4(C)C)c21.C[Si]1(C)c2ccccc2-c2c(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)nc(-c3ccccc3)nc21.C[Si]1(C)c2ccccc2-c2c(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)nc(-c3ccccc3)nc21.C[Si]1(C)c2ccccc2-c2c(-n3c4ccccc4c4ccc5sc6ccccc6c5c43)nc(-c3ccccc3)nc21.

What is the InChIKey of 4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidine;12-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzofuro[3,2-a]carbazole;12-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-a]carbazole;9,9-dimethyl-2-phenyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)-[1]benzosilolo[2,3-d]pyrimidine?

The InChIKey is JIWWSNOLPTVUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N4Si.C39H31N3Si.C36H25N3OSi.C36H25N3SSi/c1-47(2)36-24-14-11-21-32(36)38-41(43-40(44-42(38)47)27-15-5-3-6-16-27)46-33-22-12-9-19-29(33)30-25-26-35-37(39(30)46)31-20-10-13-23-34(31)45(35)28-17-7-4-8-18-28;1-39(2)29-19-11-8-17-27(29)33-30(39)23-22-26-25-16-9-12-20-31(25)42(35(26)33)37-34-28-18-10-13-21-32(28)43(3,4)38(34)41-36(40-37)24-14-6-5-7-15-24;2*1-41(2)30-19-11-8-16-26(30)32-35(37-34(38-36(32)41)22-12-4-3-5-13-22)39-27-17-9-6-14-23(27)24-20-21-29-31(33(24)39)25-15-7-10-18-28(25)40-29/h3-26H,1-2H3;5-23H,1-4H3;2*3-21H,1-2H3.

What are the key properties of 4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidine;12-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzofuro[3,2-a]carbazole;12-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-a]carbazole;9,9-dimethyl-2-phenyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)-[1]benzosilolo[2,3-d]pyrimidine?

4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidine;12-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzofuro[3,2-a]carbazole;12-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-a]carbazole;9,9-dimethyl-2-phenyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)-[1]benzosilolo[2,3-d]pyrimidine has a molecular weight of 2292.07 g/mol, XLogP of 33.85, 9 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidine;12-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzofuro[3,2-a]carbazole;12-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-a]carbazole;9,9-dimethyl-2-phenyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)-[1]benzosilolo[2,3-d]pyrimidine is sourced from PubChem (CID 158929695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).