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

C177H127N13OSSi4 — CID 162036948

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

4-[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]-9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidine;12-[4-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[4-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;9,9-dimethyl-2-phenyl-4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine (PubChem CID 162036948) has the molecular formula C177H127N13OSSi4 and a molecular weight of 2596.46 g/mol. Its IUPAC name is 4-[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]-9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidine;12-[4-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[4-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;9,9-dimethyl-2-phenyl-4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine.

Molecular Properties

• Compound Name: 4-[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]-9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidine;12-[4-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[4-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;9,9-dimethyl-2-phenyl-4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine
• PubChem CID: 162036948
• Molecular Formula: C177H127N13OSSi4
• Molecular Weight: 2596.46 g/mol
• Exact Mass: 2593.91
• IUPAC Name: 4-[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]-9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidine;12-[4-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[4-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;9,9-dimethyl-2-phenyl-4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine
• SMILES: CC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3ccc(-c4nc(-c5ccccc5)nc5c4-c4ccccc4[Si]5(C)C)cc3)c21.C[Si]1(C)c2ccccc2-c2c(-c3ccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)cc3)nc(-c3ccccc3)nc21.C[Si]1(C)c2ccccc2-c2c(-c3ccc(-n4c5ccccc5c5ccc6oc7ccccc7c6c54)cc3)nc(-c3ccccc3)nc21.C[Si]1(C)c2ccccc2-c2c(-c3ccc(-n4c5ccccc5c5ccc6sc7ccccc7c6c54)cc3)nc(-c3ccccc3)nc21
• InChI: InChI=1S/C48H34N4Si.C45H35N3Si.C42H29N3OSi.C42H29N3SSi/c1-53(2)42-24-14-11-21-38(42)44-45(49-47(50-48(44)53)32-15-5-3-6-16-32)31-25-27-34(28-26-31)52-39-22-12-9-19-35(39)36-29-30-41-43(46(36)52)37-20-10-13-23-40(37)51(41)33-17-7-4-8-18-33;1-45(2)35-19-11-8-17-33(35)39-36(45)27-26-32-31-16-9-12-20-37(31)48(42(32)39)30-24-22-28(23-25-30)41-40-34-18-10-13-21-38(34)49(3,4)44(40)47-43(46-41)29-14-6-5-7-15-29;2*1-47(2)36-19-11-8-16-32(36)38-39(43-41(44-42(38)47)27-12-4-3-5-13-27)26-20-22-28(23-21-26)45-33-17-9-6-14-29(33)30-24-25-35-37(40(30)45)31-15-7-10-18-34(31)46-35/h3-30H,1-2H3;5-27H,1-4H3;2*3-25H,1-2H3
• InChIKey: YWTSGMOXEHKMRT-UHFFFAOYSA-N
• XLogP: 40.51
• TPSA: 140.91 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 13
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2596.46
LogP ≤ 5	40.51
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-[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]-9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidine;12-[4-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[4-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;9,9-dimethyl-2-phenyl-4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine?

The IUPAC name of 4-[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]-9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidine;12-[4-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[4-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;9,9-dimethyl-2-phenyl-4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine (CID 162036948) is 4-[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]-9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidine;12-[4-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[4-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;9,9-dimethyl-2-phenyl-4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine.

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

The canonical SMILES for 4-[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]-9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidine;12-[4-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[4-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;9,9-dimethyl-2-phenyl-4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine is CC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3ccc(-c4nc(-c5ccccc5)nc5c4-c4ccccc4[Si]5(C)C)cc3)c21.C[Si]1(C)c2ccccc2-c2c(-c3ccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)cc3)nc(-c3ccccc3)nc21.C[Si]1(C)c2ccccc2-c2c(-c3ccc(-n4c5ccccc5c5ccc6oc7ccccc7c6c54)cc3)nc(-c3ccccc3)nc21.C[Si]1(C)c2ccccc2-c2c(-c3ccc(-n4c5ccccc5c5ccc6sc7ccccc7c6c54)cc3)nc(-c3ccccc3)nc21.

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

The InChIKey is YWTSGMOXEHKMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N4Si.C45H35N3Si.C42H29N3OSi.C42H29N3SSi/c1-53(2)42-24-14-11-21-38(42)44-45(49-47(50-48(44)53)32-15-5-3-6-16-32)31-25-27-34(28-26-31)52-39-22-12-9-19-35(39)36-29-30-41-43(46(36)52)37-20-10-13-23-40(37)51(41)33-17-7-4-8-18-33;1-45(2)35-19-11-8-17-33(35)39-36(45)27-26-32-31-16-9-12-20-37(31)48(42(32)39)30-24-22-28(23-25-30)41-40-34-18-10-13-21-38(34)49(3,4)44(40)47-43(46-41)29-14-6-5-7-15-29;2*1-47(2)36-19-11-8-16-32(36)38-39(43-41(44-42(38)47)27-12-4-3-5-13-27)26-20-22-28(23-21-26)45-33-17-9-6-14-29(33)30-24-25-35-37(40(30)45)31-15-7-10-18-34(31)46-35/h3-30H,1-2H3;5-27H,1-4H3;2*3-25H,1-2H3.

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

4-[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]-9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidine;12-[4-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[4-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;9,9-dimethyl-2-phenyl-4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine has a molecular weight of 2596.46 g/mol, XLogP of 40.51, 13 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]-9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidine;12-[4-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[4-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;9,9-dimethyl-2-phenyl-4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine is sourced from PubChem (CID 162036948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).