4-carbazol-9-yl-7-[9-[3-(4-carbazol-9-yl-5,5-dimethyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]carbazol-3-yl]-2-(4-carbazol-9-ylphenyl)-5,5-dimethyl-[1]benzosilolo[3,2-d]pyrimidine

C84H58N8Si2 — CID 123205359

IUPAC4-carbazol-9-yl-7-[9-[3-(4-carbazol-9-yl-5,5-dimethyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]carbazol-3-yl]-2-(4-carbazol-9-ylphenyl)-5,5-dimethyl-[1]benzosilolo[3,2-d]pyrimidine
SMILESC[Si]1(C)c2ccccc2-c2nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)[Si](C)(C)c6c-7nc(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)nc6-n6c7ccccc7c7ccccc76)ccc54)c3)nc(-n3c4ccccc4c4ccccc43)c21
InChIInChI=1S/C84H58N8Si2/c1-93(2)75-39-20-12-31-64(75)77-79(93)83(91-70-35-16-7-26-59(70)60-27-8-17-36-71(60)91)88-82(86-77)54-22-21-23-56(48-54)90-69-34-15-11-30-63(69)66-49-52(43-47-74(66)90)53-42-46-65-76(50-53)94(3,4)80-78(65)85-81(87-84(80)92-72-37-18-9-28-61(72)62-29-10-19-38-73(62)92)51-40-44-55(45-41-51)89-67-32-13-5-24-57(67)58-25-6-14-33-68(58)89/h5-50H,1-4H3
InChIKeyIOHWGKZHVKXGOA-UHFFFAOYSA-N
MW1235.62 g/mol
LogP18.26
Rot. Bonds7

About 4-carbazol-9-yl-7-[9-[3-(4-carbazol-9-yl-5,5-dimethyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]carbazol-3-yl]-2-(4-carbazol-9-ylphenyl)-5,5-dimethyl-[1]benzosilolo[3,2-d]pyrimidine

4-carbazol-9-yl-7-[9-[3-(4-carbazol-9-yl-5,5-dimethyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]carbazol-3-yl]-2-(4-carbazol-9-ylphenyl)-5,5-dimethyl-[1]benzosilolo[3,2-d]pyrimidine (PubChem CID 123205359) has the molecular formula C84H58N8Si2 and a molecular weight of 1235.62 g/mol. Its IUPAC name is 4-carbazol-9-yl-7-[9-[3-(4-carbazol-9-yl-5,5-dimethyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]carbazol-3-yl]-2-(4-carbazol-9-ylphenyl)-5,5-dimethyl-[1]benzosilolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-carbazol-9-yl-7-[9-[3-(4-carbazol-9-yl-5,5-dimethyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]carbazol-3-yl]-2-(4-carbazol-9-ylphenyl)-5,5-dimethyl-[1]benzosilolo[3,2-d]pyrimidine
PubChem CID123205359
Molecular FormulaC84H58N8Si2
Molecular Weight1235.62 g/mol
Exact Mass1234.43
IUPAC Name4-carbazol-9-yl-7-[9-[3-(4-carbazol-9-yl-5,5-dimethyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]carbazol-3-yl]-2-(4-carbazol-9-ylphenyl)-5,5-dimethyl-[1]benzosilolo[3,2-d]pyrimidine
SMILESC[Si]1(C)c2ccccc2-c2nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)[Si](C)(C)c6c-7nc(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)nc6-n6c7ccccc7c7ccccc76)ccc54)c3)nc(-n3c4ccccc4c4ccccc43)c21
InChIInChI=1S/C84H58N8Si2/c1-93(2)75-39-20-12-31-64(75)77-79(93)83(91-70-35-16-7-26-59(70)60-27-8-17-36-71(60)91)88-82(86-77)54-22-21-23-56(48-54)90-69-34-15-11-30-63(69)66-49-52(43-47-74(66)90)53-42-46-65-76(50-53)94(3,4)80-78(65)85-81(87-84(80)92-72-37-18-9-28-61(72)62-29-10-19-38-73(62)92)51-40-44-55(45-41-51)89-67-32-13-5-24-57(67)58-25-6-14-33-68(58)89/h5-50H,1-4H3
InChIKeyIOHWGKZHVKXGOA-UHFFFAOYSA-N
XLogP18.26
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001235.62
LogP ≤ 518.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-carbazol-9-yl-7-[9-[3-(4-carbazol-9-yl-5,5-dimethyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]carbazol-3-yl]-2-(4-carbazol-9-ylphenyl)-5,5-dimethyl-[1]benzosilolo[3,2-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Silicon phthalocyanine
CID 119185
9,9',9''-(5-(4,6-Diphenyl-1,3,5-triazin-2-yl)benzene-1,2,3-triyl) tris(3,6-dimethyl-9H-carbazole)
CID 122212559
9-(3-(4-(3,5-Di(9H-carbazol-9-yl)phenyl)-6-phenyl-1,3,5-triazin-2-yl)-5-(9H-carbazol-9-yl)phenyl)-9H-carbazole
CID 102593214
2-Phenyl-4,6-bis(12-phenylindolo[2,3-a]carbazole11-yl)-1,3,5-triazine
CID 57997065
4-3CzTRz
CID 89890742
2,4-Bis{3-(9h-carbazol-9-yl)-9h-carbazol-9-yl}-6-phenyl-1,3,5-triazine
CID 102489904
9-[2,3,4,5-Tetra(carbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 121401498
9,9'-(6-Phenyl-1,3,5-triazine-2,4-diyl)bis(3,6-di-t-butyl-carbazole)
CID 129865869
9,9',9''-(5-(4,6-Diphenyl-1,3,5-triazin-2-yl)benzene-1,2,3-triyl)tris(3,6-di-t-butyl-9h-carbazole)
CID 135131181
3-Carbazol-9-yl-9-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]carbazole
CID 139218401
9,9'-(6-(3-(Triphenylsilyl)phenyl)-1,3,5-triazine-2,4-diyl)bis(9h-carbazole)
CID 153495116
3-[9-(4,6-Diphenylpyrimidin-2-yl)carbazol-2-yl]-9-[3-(2,2,2-trifluoroethyl)phenyl]carbazole
CID 58511268

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-7-[9-[3-(4-carbazol-9-yl-5,5-dimethyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]carbazol-3-yl]-2-(4-carbazol-9-ylphenyl)-5,5-dimethyl-[1]benzosilolo[3,2-d]pyrimidine?
The IUPAC name of 4-carbazol-9-yl-7-[9-[3-(4-carbazol-9-yl-5,5-dimethyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]carbazol-3-yl]-2-(4-carbazol-9-ylphenyl)-5,5-dimethyl-[1]benzosilolo[3,2-d]pyrimidine (CID 123205359) is 4-carbazol-9-yl-7-[9-[3-(4-carbazol-9-yl-5,5-dimethyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]carbazol-3-yl]-2-(4-carbazol-9-ylphenyl)-5,5-dimethyl-[1]benzosilolo[3,2-d]pyrimidine.
What is the SMILES notation for 4-carbazol-9-yl-7-[9-[3-(4-carbazol-9-yl-5,5-dimethyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]carbazol-3-yl]-2-(4-carbazol-9-ylphenyl)-5,5-dimethyl-[1]benzosilolo[3,2-d]pyrimidine?
The canonical SMILES for 4-carbazol-9-yl-7-[9-[3-(4-carbazol-9-yl-5,5-dimethyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]carbazol-3-yl]-2-(4-carbazol-9-ylphenyl)-5,5-dimethyl-[1]benzosilolo[3,2-d]pyrimidine is C[Si]1(C)c2ccccc2-c2nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)[Si](C)(C)c6c-7nc(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)nc6-n6c7ccccc7c7ccccc76)ccc54)c3)nc(-n3c4ccccc4c4ccccc43)c21.
What is the InChIKey of 4-carbazol-9-yl-7-[9-[3-(4-carbazol-9-yl-5,5-dimethyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]carbazol-3-yl]-2-(4-carbazol-9-ylphenyl)-5,5-dimethyl-[1]benzosilolo[3,2-d]pyrimidine?
The InChIKey is IOHWGKZHVKXGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H58N8Si2/c1-93(2)75-39-20-12-31-64(75)77-79(93)83(91-70-35-16-7-26-59(70)60-27-8-17-36-71(60)91)88-82(86-77)54-22-21-23-56(48-54)90-69-34-15-11-30-63(69)66-49-52(43-47-74(66)90)53-42-46-65-76(50-53)94(3,4)80-78(65)85-81(87-84(80)92-72-37-18-9-28-61(72)62-29-10-19-38-73(62)92)51-40-44-55(45-41-51)89-67-32-13-5-24-57(67)58-25-6-14-33-68(58)89/h5-50H,1-4H3.
What are the key properties of 4-carbazol-9-yl-7-[9-[3-(4-carbazol-9-yl-5,5-dimethyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]carbazol-3-yl]-2-(4-carbazol-9-ylphenyl)-5,5-dimethyl-[1]benzosilolo[3,2-d]pyrimidine?
4-carbazol-9-yl-7-[9-[3-(4-carbazol-9-yl-5,5-dimethyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]carbazol-3-yl]-2-(4-carbazol-9-ylphenyl)-5,5-dimethyl-[1]benzosilolo[3,2-d]pyrimidine has a molecular weight of 1235.62 g/mol, XLogP of 18.26, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-yl-7-[9-[3-(4-carbazol-9-yl-5,5-dimethyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]carbazol-3-yl]-2-(4-carbazol-9-ylphenyl)-5,5-dimethyl-[1]benzosilolo[3,2-d]pyrimidine is sourced from PubChem (CID 123205359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).