1-[4,5-bis(5,5-diphenylbenzo[b][1]benzosilol-1-yl)anthracen-9-yl]-2-phenylbenzimidazole

C75H50N2Si2 — CID 159989669

IUPAC1-[4,5-bis(5,5-diphenylbenzo[b][1]benzosilol-1-yl)anthracen-9-yl]-2-phenylbenzimidazole
SMILESc1ccc(-c2nc3ccccc3n2-c2c3cccc(-c4cccc5c4-c4ccccc4[Si]5(c4ccccc4)c4ccccc4)c3cc3c(-c4cccc5c4-c4ccccc4[Si]5(c4ccccc4)c4ccccc4)cccc23)cc1
InChIInChI=1S/C75H50N2Si2/c1-6-26-51(27-7-1)75-76-66-44-18-19-45-67(66)77(75)74-60-42-22-38-56(58-40-24-48-70-72(58)62-36-16-20-46-68(62)78(70,52-28-8-2-9-29-52)53-30-10-3-11-31-53)64(60)50-65-57(39-23-43-61(65)74)59-41-25-49-71-73(59)63-37-17-21-47-69(63)79(71,54-32-12-4-13-33-54)55-34-14-5-15-35-55/h1-50H
InChIKeyQUKQEZSSAAYIIH-UHFFFAOYSA-N
MW1035.41 g/mol
LogP13.05
Rot. Bonds8

About 1-[4,5-bis(5,5-diphenylbenzo[b][1]benzosilol-1-yl)anthracen-9-yl]-2-phenylbenzimidazole

1-[4,5-bis(5,5-diphenylbenzo[b][1]benzosilol-1-yl)anthracen-9-yl]-2-phenylbenzimidazole (PubChem CID 159989669) has the molecular formula C75H50N2Si2 and a molecular weight of 1035.41 g/mol. Its IUPAC name is 1-[4,5-bis(5,5-diphenylbenzo[b][1]benzosilol-1-yl)anthracen-9-yl]-2-phenylbenzimidazole.

Molecular Properties

Compound Name1-[4,5-bis(5,5-diphenylbenzo[b][1]benzosilol-1-yl)anthracen-9-yl]-2-phenylbenzimidazole
PubChem CID159989669
Molecular FormulaC75H50N2Si2
Molecular Weight1035.41 g/mol
Exact Mass1034.35
IUPAC Name1-[4,5-bis(5,5-diphenylbenzo[b][1]benzosilol-1-yl)anthracen-9-yl]-2-phenylbenzimidazole
SMILESc1ccc(-c2nc3ccccc3n2-c2c3cccc(-c4cccc5c4-c4ccccc4[Si]5(c4ccccc4)c4ccccc4)c3cc3c(-c4cccc5c4-c4ccccc4[Si]5(c4ccccc4)c4ccccc4)cccc23)cc1
InChIInChI=1S/C75H50N2Si2/c1-6-26-51(27-7-1)75-76-66-44-18-19-45-67(66)77(75)74-60-42-22-38-56(58-40-24-48-70-72(58)62-36-16-20-46-68(62)78(70,52-28-8-2-9-29-52)53-30-10-3-11-31-53)64(60)50-65-57(39-23-43-61(65)74)59-41-25-49-71-73(59)63-37-17-21-47-69(63)79(71,54-32-12-4-13-33-54)55-34-14-5-15-35-55/h1-50H
InChIKeyQUKQEZSSAAYIIH-UHFFFAOYSA-N
XLogP13.05
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001035.41
LogP ≤ 513.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-[4,5-bis(5-phenylbenzo[b]phosphindol-1-yl)anthracen-9-yl]-2-phenylbenzimidazole
CID 155333584
1-(10-naphthalen-2-ylanthracen-9-yl)-2-phenylbenzimidazole
CID 166510005
1-[10-naphthalen-1-yl-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole
CID 148932878
2-[11,11-diphenyl-4-(1-phenylbenzimidazol-2-yl)benzo[b][1]benzosilepin-7-yl]-1-phenylbenzimidazole
CID 155647150
1-(8-dibenzofuran-1-yl-10-dibenzofuran-4-ylanthracen-1-yl)dibenzofuran;1-[8-dibenzofuran-1-yl-10-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)anthracen-1-yl]dibenzofuran;7-[4,5-di(dibenzofuran-1-yl)anthracen-9-yl]-2-methyl-1-phenylbenzimidazole;1-[4,5-di(dibenzofuran-4-yl)anthracen-9-yl]-2-phenylbenzimidazole;1-[4,5-di(dibenzofuran-4-yl)anthracen-9-yl]-9-phenylcarbazole;18-[10-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)-8-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-18-ylanthracen-1-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
CID 159688748
1-[10-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]-2-phenylbenzimidazole
CID 169071962
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6-diphenylbenzimidazolo[1,2-a][1,3]benzazasilole
CID 171450028
6-[3-[4,6-bis(2-phenylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]phenyl]-6-phenylbenzimidazolo[1,2-b][2,1]benzazasilole
CID 171449993
9-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-3,6-diphenylcarbazole
CID 153426549
1-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-2-phenylbenzimidazole
CID 58953833
1-[3-(6,12-dinaphthalen-1-ylchrysen-2-yl)phenyl]-2-phenylbenzimidazole
CID 89280025
1-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-3-phenyl-2-benzothiophene
CID 158775804

Frequently Asked Questions

What is the IUPAC name of 1-[4,5-bis(5,5-diphenylbenzo[b][1]benzosilol-1-yl)anthracen-9-yl]-2-phenylbenzimidazole?
The IUPAC name of 1-[4,5-bis(5,5-diphenylbenzo[b][1]benzosilol-1-yl)anthracen-9-yl]-2-phenylbenzimidazole (CID 159989669) is 1-[4,5-bis(5,5-diphenylbenzo[b][1]benzosilol-1-yl)anthracen-9-yl]-2-phenylbenzimidazole.
What is the SMILES notation for 1-[4,5-bis(5,5-diphenylbenzo[b][1]benzosilol-1-yl)anthracen-9-yl]-2-phenylbenzimidazole?
The canonical SMILES for 1-[4,5-bis(5,5-diphenylbenzo[b][1]benzosilol-1-yl)anthracen-9-yl]-2-phenylbenzimidazole is c1ccc(-c2nc3ccccc3n2-c2c3cccc(-c4cccc5c4-c4ccccc4[Si]5(c4ccccc4)c4ccccc4)c3cc3c(-c4cccc5c4-c4ccccc4[Si]5(c4ccccc4)c4ccccc4)cccc23)cc1.
What is the InChIKey of 1-[4,5-bis(5,5-diphenylbenzo[b][1]benzosilol-1-yl)anthracen-9-yl]-2-phenylbenzimidazole?
The InChIKey is QUKQEZSSAAYIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H50N2Si2/c1-6-26-51(27-7-1)75-76-66-44-18-19-45-67(66)77(75)74-60-42-22-38-56(58-40-24-48-70-72(58)62-36-16-20-46-68(62)78(70,52-28-8-2-9-29-52)53-30-10-3-11-31-53)64(60)50-65-57(39-23-43-61(65)74)59-41-25-49-71-73(59)63-37-17-21-47-69(63)79(71,54-32-12-4-13-33-54)55-34-14-5-15-35-55/h1-50H.
What are the key properties of 1-[4,5-bis(5,5-diphenylbenzo[b][1]benzosilol-1-yl)anthracen-9-yl]-2-phenylbenzimidazole?
1-[4,5-bis(5,5-diphenylbenzo[b][1]benzosilol-1-yl)anthracen-9-yl]-2-phenylbenzimidazole has a molecular weight of 1035.41 g/mol, XLogP of 13.05, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,5-bis(5,5-diphenylbenzo[b][1]benzosilol-1-yl)anthracen-9-yl]-2-phenylbenzimidazole is sourced from PubChem (CID 159989669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).