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

C165H110N10SSi3 — CID 162238768

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

4-[2-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]-2,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidine;12-[2-(2,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;2,9,9-triphenyl-4-[2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine (PubChem CID 162238768) has the molecular formula C165H110N10SSi3 and a molecular weight of 2349.09 g/mol. Its IUPAC name is 4-[2-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]-2,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidine;12-[2-(2,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;2,9,9-triphenyl-4-[2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine.

Molecular Properties

• Compound Name: 4-[2-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]-2,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidine;12-[2-(2,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;2,9,9-triphenyl-4-[2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine
• PubChem CID: 162238768
• Molecular Formula: C165H110N10SSi3
• Molecular Weight: 2349.09 g/mol
• Exact Mass: 2346.79
• IUPAC Name: 4-[2-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]-2,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidine;12-[2-(2,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;2,9,9-triphenyl-4-[2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine
• SMILES: CC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3ccccc3-c3nc(-c4ccccc4)nc4c3-c3ccccc3[Si]4(c3ccccc3)c3ccccc3)c21.c1ccc(-c2nc(-c3ccccc3-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)c3c(n2)[Si](c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.c1ccc(-c2nc(-c3ccccc3-n3c4ccccc4c4ccc5sc6ccccc6c5c43)c3c(n2)[Si](c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
• InChI: InChI=1S/C58H38N4Si.C55H39N3Si.C52H33N3SSi/c1-5-21-39(22-6-1)57-59-55(54-47-32-16-20-36-52(47)63(58(54)60-57,41-25-9-3-10-26-41)42-27-11-4-12-28-42)46-31-15-19-35-50(46)62-48-33-17-13-29-43(48)44-37-38-51-53(56(44)62)45-30-14-18-34-49(45)61(51)40-23-7-2-8-24-40;1-55(2)44-30-16-12-27-41(44)49-45(55)35-34-40-39-26-13-17-31-46(39)58(52(40)49)47-32-18-14-28-42(47)51-50-43-29-15-19-33-48(43)59(37-22-8-4-9-23-37,38-24-10-5-11-25-38)54(50)57-53(56-51)36-20-6-3-7-21-36;1-4-18-34(19-5-1)51-53-49(48-41-27-13-17-31-46(41)57(52(48)54-51,35-20-6-2-7-21-35)36-22-8-3-9-23-36)39-25-11-15-29-43(39)55-42-28-14-10-24-37(42)38-32-33-45-47(50(38)55)40-26-12-16-30-44(40)56-45/h1-38H;3-35H,1-2H3;1-33H
• InChIKey: ZWKQBSNGIDYNAU-UHFFFAOYSA-N
• XLogP: 32.57
• TPSA: 97.06 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 16
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2349.09
LogP ≤ 5	32.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 4-[2-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]-2,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidine;12-[2-(2,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;2,9,9-triphenyl-4-[2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine (CID 162238768) is 4-[2-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]-2,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidine;12-[2-(2,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;2,9,9-triphenyl-4-[2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine.

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

The canonical SMILES for 4-[2-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]-2,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidine;12-[2-(2,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;2,9,9-triphenyl-4-[2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine is CC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3ccccc3-c3nc(-c4ccccc4)nc4c3-c3ccccc3[Si]4(c3ccccc3)c3ccccc3)c21.c1ccc(-c2nc(-c3ccccc3-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)c3c(n2)[Si](c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.c1ccc(-c2nc(-c3ccccc3-n3c4ccccc4c4ccc5sc6ccccc6c5c43)c3c(n2)[Si](c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.

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

The InChIKey is ZWKQBSNGIDYNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N4Si.C55H39N3Si.C52H33N3SSi/c1-5-21-39(22-6-1)57-59-55(54-47-32-16-20-36-52(47)63(58(54)60-57,41-25-9-3-10-26-41)42-27-11-4-12-28-42)46-31-15-19-35-50(46)62-48-33-17-13-29-43(48)44-37-38-51-53(56(44)62)45-30-14-18-34-49(45)61(51)40-23-7-2-8-24-40;1-55(2)44-30-16-12-27-41(44)49-45(55)35-34-40-39-26-13-17-31-46(39)58(52(40)49)47-32-18-14-28-42(47)51-50-43-29-15-19-33-48(43)59(37-22-8-4-9-23-37,38-24-10-5-11-25-38)54(50)57-53(56-51)36-20-6-3-7-21-36;1-4-18-34(19-5-1)51-53-49(48-41-27-13-17-31-46(41)57(52(48)54-51,35-20-6-2-7-21-35)36-22-8-3-9-23-36)39-25-11-15-29-43(39)55-42-28-14-10-24-37(42)38-32-33-45-47(50(38)55)40-26-12-16-30-44(40)56-45/h1-38H;3-35H,1-2H3;1-33H.

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

4-[2-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]-2,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidine;12-[2-(2,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;2,9,9-triphenyl-4-[2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine has a molecular weight of 2349.09 g/mol, XLogP of 32.57, 16 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]-2,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidine;12-[2-(2,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;2,9,9-triphenyl-4-[2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine is sourced from PubChem (CID 162238768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).