7-[6-[9,9-dimethyl-4-(3-phenylphenyl)-[1]benzosilolo[2,3-d]pyrimidin-2-yl]-9-phenylcarbazol-2-yl]-9,9-dimethyl-2-(9-phenylcarbazol-3-yl)-4-(4-phenylphenyl)-[1]benzosilolo[2,3-d]pyrimidine

C84H60N6Si2 — CID 123781186

IUPAC7-[6-[9,9-dimethyl-4-(3-phenylphenyl)-[1]benzosilolo[2,3-d]pyrimidin-2-yl]-9-phenylcarbazol-2-yl]-9,9-dimethyl-2-(9-phenylcarbazol-3-yl)-4-(4-phenylphenyl)-[1]benzosilolo[2,3-d]pyrimidine
SMILESC[Si]1(C)c2ccccc2-c2c(-c3cccc(-c4ccccc4)c3)nc(-c3ccc4c(c3)c3ccc(-c5ccc6c(c5)[Si](C)(C)c5nc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)nc(-c7ccc(-c8ccccc8)cc7)c5-6)cc3n4-c3ccccc3)nc21
InChIInChI=1S/C84H60N6Si2/c1-91(2)75-35-20-18-33-67(75)77-80(60-27-21-26-57(48-60)54-24-11-6-12-25-54)86-82(87-83(77)91)62-43-47-73-70(50-62)66-44-40-58(51-74(66)90(73)64-30-15-8-16-31-64)59-41-45-68-76(52-59)92(3,4)84-78(68)79(56-38-36-55(37-39-56)53-22-9-5-10-23-53)85-81(88-84)61-42-46-72-69(49-61)65-32-17-19-34-71(65)89(72)63-28-13-7-14-29-63/h5-52H,1-4H3
InChIKeyLIRPMTOENGMACV-UHFFFAOYSA-N
MW1209.62 g/mol
LogP18.74
Rot. Bonds9

About 7-[6-[9,9-dimethyl-4-(3-phenylphenyl)-[1]benzosilolo[2,3-d]pyrimidin-2-yl]-9-phenylcarbazol-2-yl]-9,9-dimethyl-2-(9-phenylcarbazol-3-yl)-4-(4-phenylphenyl)-[1]benzosilolo[2,3-d]pyrimidine

7-[6-[9,9-dimethyl-4-(3-phenylphenyl)-[1]benzosilolo[2,3-d]pyrimidin-2-yl]-9-phenylcarbazol-2-yl]-9,9-dimethyl-2-(9-phenylcarbazol-3-yl)-4-(4-phenylphenyl)-[1]benzosilolo[2,3-d]pyrimidine (PubChem CID 123781186) has the molecular formula C84H60N6Si2 and a molecular weight of 1209.62 g/mol. Its IUPAC name is 7-[6-[9,9-dimethyl-4-(3-phenylphenyl)-[1]benzosilolo[2,3-d]pyrimidin-2-yl]-9-phenylcarbazol-2-yl]-9,9-dimethyl-2-(9-phenylcarbazol-3-yl)-4-(4-phenylphenyl)-[1]benzosilolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name7-[6-[9,9-dimethyl-4-(3-phenylphenyl)-[1]benzosilolo[2,3-d]pyrimidin-2-yl]-9-phenylcarbazol-2-yl]-9,9-dimethyl-2-(9-phenylcarbazol-3-yl)-4-(4-phenylphenyl)-[1]benzosilolo[2,3-d]pyrimidine
PubChem CID123781186
Molecular FormulaC84H60N6Si2
Molecular Weight1209.62 g/mol
Exact Mass1208.44
IUPAC Name7-[6-[9,9-dimethyl-4-(3-phenylphenyl)-[1]benzosilolo[2,3-d]pyrimidin-2-yl]-9-phenylcarbazol-2-yl]-9,9-dimethyl-2-(9-phenylcarbazol-3-yl)-4-(4-phenylphenyl)-[1]benzosilolo[2,3-d]pyrimidine
SMILESC[Si]1(C)c2ccccc2-c2c(-c3cccc(-c4ccccc4)c3)nc(-c3ccc4c(c3)c3ccc(-c5ccc6c(c5)[Si](C)(C)c5nc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)nc(-c7ccc(-c8ccccc8)cc7)c5-6)cc3n4-c3ccccc3)nc21
InChIInChI=1S/C84H60N6Si2/c1-91(2)75-35-20-18-33-67(75)77-80(60-27-21-26-57(48-60)54-24-11-6-12-25-54)86-82(87-83(77)91)62-43-47-73-70(50-62)66-44-40-58(51-74(66)90(73)64-30-15-8-16-31-64)59-41-45-68-76(52-59)92(3,4)84-78(68)79(56-38-36-55(37-39-56)53-22-9-5-10-23-53)85-81(88-84)61-42-46-72-69(49-61)65-32-17-19-34-71(65)89(72)63-28-13-7-14-29-63/h5-52H,1-4H3
InChIKeyLIRPMTOENGMACV-UHFFFAOYSA-N
XLogP18.74
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001209.62
LogP ≤ 518.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-[6-[9,9-dimethyl-4-(3-phenylphenyl)-[1]benzosilolo[2,3-d]pyrimidin-2-yl]-9-phenylcarbazol-2-yl]-9,9-dimethyl-2-(9-phenylcarbazol-3-yl)-4-(4-phenylphenyl)-[1]benzosilolo[2,3-d]pyrimidine with MolForge

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Related Compounds

9-(3-(9H-Carbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl)-9H-carbazole
CID 58943284
9-(4-(4,6-diphenyl-1,3,5-triazin-2-yl) phenyl)-N3, N3, N6, N6-tetraphenyl-9H-carbazole-3,6-diamine
CID 90211147
9,9',9''-(5-(4,6-Diphenyl-1,3,5-triazin-2-yl)benzene-1,2,3-triyl)tris(9H-carbazole)
CID 118424868
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
9-(4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl)-3,6-dimethyl-9H-carbazole
CID 118670814
9,9'-(5-(4,6-Di-t-butyl-1,3,5-triazin-2-yl)-1,3-phenylene)bis(3-fluoro-9h-carbazole)
CID 168302126
6-(3-Indolo[1,2-c]quinazolin-6-ylnaphthalen-2-yl)indolo[1,2-c]quinazoline
CID 45276790
6-(2-Indolo[1,2-c]quinazolin-6-ylphenyl)indolo[1,2-c]quinazoline
CID 45276939
6-(3-Indolo[1,2-c]quinazolin-6-ylphenyl)indolo[1,2-c]quinazoline
CID 45276940
6-(4-Indolo[1,2-c]quinazolin-6-ylphenyl)indolo[1,2-c]quinazoline
CID 45276941
9-[4-(4-Phenylquinazolin-2-yl)phenyl]carbazole
CID 57648233

Frequently Asked Questions

What is the IUPAC name of 7-[6-[9,9-dimethyl-4-(3-phenylphenyl)-[1]benzosilolo[2,3-d]pyrimidin-2-yl]-9-phenylcarbazol-2-yl]-9,9-dimethyl-2-(9-phenylcarbazol-3-yl)-4-(4-phenylphenyl)-[1]benzosilolo[2,3-d]pyrimidine?
The IUPAC name of 7-[6-[9,9-dimethyl-4-(3-phenylphenyl)-[1]benzosilolo[2,3-d]pyrimidin-2-yl]-9-phenylcarbazol-2-yl]-9,9-dimethyl-2-(9-phenylcarbazol-3-yl)-4-(4-phenylphenyl)-[1]benzosilolo[2,3-d]pyrimidine (CID 123781186) is 7-[6-[9,9-dimethyl-4-(3-phenylphenyl)-[1]benzosilolo[2,3-d]pyrimidin-2-yl]-9-phenylcarbazol-2-yl]-9,9-dimethyl-2-(9-phenylcarbazol-3-yl)-4-(4-phenylphenyl)-[1]benzosilolo[2,3-d]pyrimidine.
What is the SMILES notation for 7-[6-[9,9-dimethyl-4-(3-phenylphenyl)-[1]benzosilolo[2,3-d]pyrimidin-2-yl]-9-phenylcarbazol-2-yl]-9,9-dimethyl-2-(9-phenylcarbazol-3-yl)-4-(4-phenylphenyl)-[1]benzosilolo[2,3-d]pyrimidine?
The canonical SMILES for 7-[6-[9,9-dimethyl-4-(3-phenylphenyl)-[1]benzosilolo[2,3-d]pyrimidin-2-yl]-9-phenylcarbazol-2-yl]-9,9-dimethyl-2-(9-phenylcarbazol-3-yl)-4-(4-phenylphenyl)-[1]benzosilolo[2,3-d]pyrimidine is C[Si]1(C)c2ccccc2-c2c(-c3cccc(-c4ccccc4)c3)nc(-c3ccc4c(c3)c3ccc(-c5ccc6c(c5)[Si](C)(C)c5nc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)nc(-c7ccc(-c8ccccc8)cc7)c5-6)cc3n4-c3ccccc3)nc21.
What is the InChIKey of 7-[6-[9,9-dimethyl-4-(3-phenylphenyl)-[1]benzosilolo[2,3-d]pyrimidin-2-yl]-9-phenylcarbazol-2-yl]-9,9-dimethyl-2-(9-phenylcarbazol-3-yl)-4-(4-phenylphenyl)-[1]benzosilolo[2,3-d]pyrimidine?
The InChIKey is LIRPMTOENGMACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H60N6Si2/c1-91(2)75-35-20-18-33-67(75)77-80(60-27-21-26-57(48-60)54-24-11-6-12-25-54)86-82(87-83(77)91)62-43-47-73-70(50-62)66-44-40-58(51-74(66)90(73)64-30-15-8-16-31-64)59-41-45-68-76(52-59)92(3,4)84-78(68)79(56-38-36-55(37-39-56)53-22-9-5-10-23-53)85-81(88-84)61-42-46-72-69(49-61)65-32-17-19-34-71(65)89(72)63-28-13-7-14-29-63/h5-52H,1-4H3.
What are the key properties of 7-[6-[9,9-dimethyl-4-(3-phenylphenyl)-[1]benzosilolo[2,3-d]pyrimidin-2-yl]-9-phenylcarbazol-2-yl]-9,9-dimethyl-2-(9-phenylcarbazol-3-yl)-4-(4-phenylphenyl)-[1]benzosilolo[2,3-d]pyrimidine?
7-[6-[9,9-dimethyl-4-(3-phenylphenyl)-[1]benzosilolo[2,3-d]pyrimidin-2-yl]-9-phenylcarbazol-2-yl]-9,9-dimethyl-2-(9-phenylcarbazol-3-yl)-4-(4-phenylphenyl)-[1]benzosilolo[2,3-d]pyrimidine has a molecular weight of 1209.62 g/mol, XLogP of 18.74, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-[9,9-dimethyl-4-(3-phenylphenyl)-[1]benzosilolo[2,3-d]pyrimidin-2-yl]-9-phenylcarbazol-2-yl]-9,9-dimethyl-2-(9-phenylcarbazol-3-yl)-4-(4-phenylphenyl)-[1]benzosilolo[2,3-d]pyrimidine is sourced from PubChem (CID 123781186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).