4-carbazol-9-yl-5,5-dimethyl-2-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]-[1]benzosilolo[3,2-d]pyrimidine;4-(3-dibenzothiophen-4-ylphenyl)-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,5-dimethyl-[1]benzosilolo[3,2-d]pyrimidine

C107H72N12SSi2 — CID 158474082

IUPAC4-carbazol-9-yl-5,5-dimethyl-2-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]-[1]benzosilolo[3,2-d]pyrimidine;4-(3-dibenzothiophen-4-ylphenyl)-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,5-dimethyl-[1]benzosilolo[3,2-d]pyrimidine
SMILESC[Si]1(C)c2ccccc2-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)nc(-c3cccc(-c4cccc5c4sc4ccccc45)c3)c21.C[Si]1(C)c2ccccc2-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3nc(-c4ccccc4)nc4ccccc34)nc(-n3c4ccccc4c4ccccc43)c21
InChIInChI=1S/C57H38N6SSi.C50H34N6Si/c1-65(2)49-30-14-11-25-44(49)51-53(65)50(38-22-15-21-37(33-38)40-26-16-27-43-42-24-10-13-29-48(42)64-52(40)43)58-56(59-51)39-31-32-47-45(34-39)41-23-9-12-28-46(41)63(47)57-61-54(35-17-5-3-6-18-35)60-55(62-57)36-19-7-4-8-20-36;1-57(2)44-27-15-10-22-37(44)45-46(57)50(56-40-24-12-7-18-33(40)34-19-8-13-25-41(34)56)54-48(52-45)32-28-29-43-38(30-32)35-20-9-14-26-42(35)55(43)49-36-21-6-11-23-39(36)51-47(53-49)31-16-4-3-5-17-31/h3-34H,1-2H3;3-30H,1-2H3
InChIKeyHGSGFBGATIYMRO-UHFFFAOYSA-N
MW1614.08 g/mol
LogP24.02
Rot. Bonds10

About 4-carbazol-9-yl-5,5-dimethyl-2-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]-[1]benzosilolo[3,2-d]pyrimidine;4-(3-dibenzothiophen-4-ylphenyl)-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,5-dimethyl-[1]benzosilolo[3,2-d]pyrimidine

4-carbazol-9-yl-5,5-dimethyl-2-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]-[1]benzosilolo[3,2-d]pyrimidine;4-(3-dibenzothiophen-4-ylphenyl)-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,5-dimethyl-[1]benzosilolo[3,2-d]pyrimidine (PubChem CID 158474082) has the molecular formula C107H72N12SSi2 and a molecular weight of 1614.08 g/mol. Its IUPAC name is 4-carbazol-9-yl-5,5-dimethyl-2-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]-[1]benzosilolo[3,2-d]pyrimidine;4-(3-dibenzothiophen-4-ylphenyl)-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,5-dimethyl-[1]benzosilolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-carbazol-9-yl-5,5-dimethyl-2-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]-[1]benzosilolo[3,2-d]pyrimidine;4-(3-dibenzothiophen-4-ylphenyl)-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,5-dimethyl-[1]benzosilolo[3,2-d]pyrimidine
PubChem CID158474082
Molecular FormulaC107H72N12SSi2
Molecular Weight1614.08 g/mol
Exact Mass1612.53
IUPAC Name4-carbazol-9-yl-5,5-dimethyl-2-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]-[1]benzosilolo[3,2-d]pyrimidine;4-(3-dibenzothiophen-4-ylphenyl)-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,5-dimethyl-[1]benzosilolo[3,2-d]pyrimidine
SMILESC[Si]1(C)c2ccccc2-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)nc(-c3cccc(-c4cccc5c4sc4ccccc45)c3)c21.C[Si]1(C)c2ccccc2-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3nc(-c4ccccc4)nc4ccccc34)nc(-n3c4ccccc4c4ccccc43)c21
InChIInChI=1S/C57H38N6SSi.C50H34N6Si/c1-65(2)49-30-14-11-25-44(49)51-53(65)50(38-22-15-21-37(33-38)40-26-16-27-43-42-24-10-13-29-48(42)64-52(40)43)58-56(59-51)39-31-32-47-45(34-39)41-23-9-12-28-46(41)63(47)57-61-54(35-17-5-3-6-18-35)60-55(62-57)36-19-7-4-8-20-36;1-57(2)44-27-15-10-22-37(44)45-46(57)50(56-40-24-12-7-18-33(40)34-19-8-13-25-41(34)56)54-48(52-45)32-28-29-43-38(30-32)35-20-9-14-26-42(35)55(43)49-36-21-6-11-23-39(36)51-47(53-49)31-16-4-3-5-17-31/h3-34H,1-2H3;3-30H,1-2H3
InChIKeyHGSGFBGATIYMRO-UHFFFAOYSA-N
XLogP24.02
TPSA130.80 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001614.08
LogP ≤ 524.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 4-carbazol-9-yl-5,5-dimethyl-2-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]-[1]benzosilolo[3,2-d]pyrimidine;4-(3-dibenzothiophen-4-ylphenyl)-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,5-dimethyl-[1]benzosilolo[3,2-d]pyrimidine with MolForge

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Related Compounds

9-[4-[3-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358100
5-[2-(5,5-dimethyl-2-phenyl-[1]benzosilolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 140805697
2-(3-dibenzothiophen-4-ylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-(3-triphenylen-2-ylphenyl)dibenzothiophene
CID 161177028
3-dibenzothiophen-4-yl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole
CID 165005678
5,5-dimethyl-2-(9-phenylcarbazol-3-yl)-4-(3-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine;5,5-dimethyl-2-(9-phenylcarbazol-3-yl)-4-(4-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine;5,5-dimethyl-4-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzosilolo[3,2-d]pyrimidine
CID 159465866
2-(3-dibenzothiophen-4-ylphenyl)-9-[4-phenyl-6-[3-[6-(3-triphenylen-2-ylphenyl)dibenzothiophen-2-yl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 145097430
3-dibenzothiophen-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzothiophen-4-yl-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 158377536
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole;4-(3-triphenylen-2-ylphenyl)dibenzothiophene
CID 160929281
2-phenyl-9-[4-phenyl-6-[3-[8-(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 155329843
3-[4-(4-dibenzothiophen-4-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole
CID 145159089
9-[4-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(9-phenyldibenzothiophen-1-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(9-phenyldibenzothiophen-4-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 159013157
14-[3-(5,5-dimethyl-2-phenyl-[1]benzosilolo[3,2-d]pyrimidin-4-yl)phenyl]-9-thia-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 140805819

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-5,5-dimethyl-2-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]-[1]benzosilolo[3,2-d]pyrimidine;4-(3-dibenzothiophen-4-ylphenyl)-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,5-dimethyl-[1]benzosilolo[3,2-d]pyrimidine?
The IUPAC name of 4-carbazol-9-yl-5,5-dimethyl-2-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]-[1]benzosilolo[3,2-d]pyrimidine;4-(3-dibenzothiophen-4-ylphenyl)-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,5-dimethyl-[1]benzosilolo[3,2-d]pyrimidine (CID 158474082) is 4-carbazol-9-yl-5,5-dimethyl-2-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]-[1]benzosilolo[3,2-d]pyrimidine;4-(3-dibenzothiophen-4-ylphenyl)-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,5-dimethyl-[1]benzosilolo[3,2-d]pyrimidine.
What is the SMILES notation for 4-carbazol-9-yl-5,5-dimethyl-2-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]-[1]benzosilolo[3,2-d]pyrimidine;4-(3-dibenzothiophen-4-ylphenyl)-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,5-dimethyl-[1]benzosilolo[3,2-d]pyrimidine?
The canonical SMILES for 4-carbazol-9-yl-5,5-dimethyl-2-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]-[1]benzosilolo[3,2-d]pyrimidine;4-(3-dibenzothiophen-4-ylphenyl)-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,5-dimethyl-[1]benzosilolo[3,2-d]pyrimidine is C[Si]1(C)c2ccccc2-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)nc(-c3cccc(-c4cccc5c4sc4ccccc45)c3)c21.C[Si]1(C)c2ccccc2-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3nc(-c4ccccc4)nc4ccccc34)nc(-n3c4ccccc4c4ccccc43)c21.
What is the InChIKey of 4-carbazol-9-yl-5,5-dimethyl-2-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]-[1]benzosilolo[3,2-d]pyrimidine;4-(3-dibenzothiophen-4-ylphenyl)-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,5-dimethyl-[1]benzosilolo[3,2-d]pyrimidine?
The InChIKey is HGSGFBGATIYMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38N6SSi.C50H34N6Si/c1-65(2)49-30-14-11-25-44(49)51-53(65)50(38-22-15-21-37(33-38)40-26-16-27-43-42-24-10-13-29-48(42)64-52(40)43)58-56(59-51)39-31-32-47-45(34-39)41-23-9-12-28-46(41)63(47)57-61-54(35-17-5-3-6-18-35)60-55(62-57)36-19-7-4-8-20-36;1-57(2)44-27-15-10-22-37(44)45-46(57)50(56-40-24-12-7-18-33(40)34-19-8-13-25-41(34)56)54-48(52-45)32-28-29-43-38(30-32)35-20-9-14-26-42(35)55(43)49-36-21-6-11-23-39(36)51-47(53-49)31-16-4-3-5-17-31/h3-34H,1-2H3;3-30H,1-2H3.
What are the key properties of 4-carbazol-9-yl-5,5-dimethyl-2-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]-[1]benzosilolo[3,2-d]pyrimidine;4-(3-dibenzothiophen-4-ylphenyl)-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,5-dimethyl-[1]benzosilolo[3,2-d]pyrimidine?
4-carbazol-9-yl-5,5-dimethyl-2-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]-[1]benzosilolo[3,2-d]pyrimidine;4-(3-dibenzothiophen-4-ylphenyl)-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,5-dimethyl-[1]benzosilolo[3,2-d]pyrimidine has a molecular weight of 1614.08 g/mol, XLogP of 24.02, 10 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-yl-5,5-dimethyl-2-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]-[1]benzosilolo[3,2-d]pyrimidine;4-(3-dibenzothiophen-4-ylphenyl)-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,5-dimethyl-[1]benzosilolo[3,2-d]pyrimidine is sourced from PubChem (CID 158474082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).