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

C72H54N4Si2 — CID 123486171

IUPAC7-[3-[3-[5,5-dimethyl-4-(2-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidin-2-yl]phenyl]phenyl]-5,5-dimethyl-2-(2-phenylphenyl)-4-(4-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine
SMILESC[Si]1(C)c2cc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6-c6ccccc6)c6c(n5)-c5ccccc5[Si]6(C)C)c4)c3)ccc2-c2nc(-c3ccccc3-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)c21
InChIInChI=1S/C72H54N4Si2/c1-77(2)63-37-19-18-36-61(63)67-70(77)66(59-34-16-14-32-57(59)49-24-10-6-11-25-49)74-71(75-67)56-31-21-30-54(45-56)52-28-20-29-53(44-52)55-42-43-62-64(46-55)78(3,4)69-65(51-40-38-48(39-41-51)47-22-8-5-9-23-47)73-72(76-68(62)69)60-35-17-15-33-58(60)50-26-12-7-13-27-50/h5-46H,1-4H3
InChIKeyNBWFDQJTKTXUHQ-UHFFFAOYSA-N
MW1031.42 g/mol
LogP15.88
Rot. Bonds9

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

7-[3-[3-[5,5-dimethyl-4-(2-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidin-2-yl]phenyl]phenyl]-5,5-dimethyl-2-(2-phenylphenyl)-4-(4-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine (PubChem CID 123486171) has the molecular formula C72H54N4Si2 and a molecular weight of 1031.42 g/mol. Its IUPAC name is 7-[3-[3-[5,5-dimethyl-4-(2-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidin-2-yl]phenyl]phenyl]-5,5-dimethyl-2-(2-phenylphenyl)-4-(4-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name7-[3-[3-[5,5-dimethyl-4-(2-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidin-2-yl]phenyl]phenyl]-5,5-dimethyl-2-(2-phenylphenyl)-4-(4-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine
PubChem CID123486171
Molecular FormulaC72H54N4Si2
Molecular Weight1031.42 g/mol
Exact Mass1030.39
IUPAC Name7-[3-[3-[5,5-dimethyl-4-(2-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidin-2-yl]phenyl]phenyl]-5,5-dimethyl-2-(2-phenylphenyl)-4-(4-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine
SMILESC[Si]1(C)c2cc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6-c6ccccc6)c6c(n5)-c5ccccc5[Si]6(C)C)c4)c3)ccc2-c2nc(-c3ccccc3-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)c21
InChIInChI=1S/C72H54N4Si2/c1-77(2)63-37-19-18-36-61(63)67-70(77)66(59-34-16-14-32-57(59)49-24-10-6-11-25-49)74-71(75-67)56-31-21-30-54(45-56)52-28-20-29-53(44-52)55-42-43-62-64(46-55)78(3,4)69-65(51-40-38-48(39-41-51)47-22-8-5-9-23-47)73-72(76-68(62)69)60-35-17-15-33-58(60)50-26-12-7-13-27-50/h5-46H,1-4H3
InChIKeyNBWFDQJTKTXUHQ-UHFFFAOYSA-N
XLogP15.88
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001031.42
LogP ≤ 515.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Related Compounds

7-[3-[2-(5,5-dimethyl-2-phenyl-[1]benzosilolo[3,2-d]pyrimidin-4-yl)phenyl]phenyl]-5,5-dimethyl-4-phenyl-2-(2-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine
CID 123615230
2-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-5,5-dimethyl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidine
CID 140747498
4-[3-(3,5-diphenylphenyl)phenyl]-5,5-dimethyl-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzosilolo[3,2-d]pyrimidine
CID 140763959
5,5-dimethyl-4-[3-(3-phenylphenyl)phenyl]-2-[3-[3-(3-phenylphenyl)phenyl]phenyl]-[1]benzosilolo[3,2-d]pyrimidine
CID 140763874
4-(3,5-diphenylphenyl)-5,5-dimethyl-2-(4-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine
CID 140763856
8-[6-[3-(5,5-dimethyl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]naphthalen-2-yl]-5,5-dimethyl-2-naphthalen-2-yl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidine
CID 123848782
[3-[3-(5,5-dimethyl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]phenyl]-triphenylsilane
CID 140763865
5,5-dimethyl-4-phenyl-2-[3-[3-[3-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzosilolo[3,2-d]pyrimidine
CID 140747379
4-[3-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]phenyl]-5,5-dimethyl-2-phenyl-[1]benzosilolo[3,2-d]pyrimidine
CID 140747377
5,5-dimethyl-4-phenyl-2-[3-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-[1]benzosilolo[3,2-d]pyrimidine
CID 140763881
2-[4-[3-[3-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 155787052
4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-5,5-dimethyl-2-phenyl-[1]benzosilolo[3,2-d]pyrimidine
CID 140747435

Frequently Asked Questions

What is the IUPAC name of 7-[3-[3-[5,5-dimethyl-4-(2-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidin-2-yl]phenyl]phenyl]-5,5-dimethyl-2-(2-phenylphenyl)-4-(4-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine?
The IUPAC name of 7-[3-[3-[5,5-dimethyl-4-(2-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidin-2-yl]phenyl]phenyl]-5,5-dimethyl-2-(2-phenylphenyl)-4-(4-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine (CID 123486171) is 7-[3-[3-[5,5-dimethyl-4-(2-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidin-2-yl]phenyl]phenyl]-5,5-dimethyl-2-(2-phenylphenyl)-4-(4-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine.
What is the SMILES notation for 7-[3-[3-[5,5-dimethyl-4-(2-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidin-2-yl]phenyl]phenyl]-5,5-dimethyl-2-(2-phenylphenyl)-4-(4-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine?
The canonical SMILES for 7-[3-[3-[5,5-dimethyl-4-(2-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidin-2-yl]phenyl]phenyl]-5,5-dimethyl-2-(2-phenylphenyl)-4-(4-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine is C[Si]1(C)c2cc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6-c6ccccc6)c6c(n5)-c5ccccc5[Si]6(C)C)c4)c3)ccc2-c2nc(-c3ccccc3-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)c21.
What is the InChIKey of 7-[3-[3-[5,5-dimethyl-4-(2-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidin-2-yl]phenyl]phenyl]-5,5-dimethyl-2-(2-phenylphenyl)-4-(4-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine?
The InChIKey is NBWFDQJTKTXUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H54N4Si2/c1-77(2)63-37-19-18-36-61(63)67-70(77)66(59-34-16-14-32-57(59)49-24-10-6-11-25-49)74-71(75-67)56-31-21-30-54(45-56)52-28-20-29-53(44-52)55-42-43-62-64(46-55)78(3,4)69-65(51-40-38-48(39-41-51)47-22-8-5-9-23-47)73-72(76-68(62)69)60-35-17-15-33-58(60)50-26-12-7-13-27-50/h5-46H,1-4H3.
What are the key properties of 7-[3-[3-[5,5-dimethyl-4-(2-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidin-2-yl]phenyl]phenyl]-5,5-dimethyl-2-(2-phenylphenyl)-4-(4-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine?
7-[3-[3-[5,5-dimethyl-4-(2-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidin-2-yl]phenyl]phenyl]-5,5-dimethyl-2-(2-phenylphenyl)-4-(4-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine has a molecular weight of 1031.42 g/mol, XLogP of 15.88, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[3-[5,5-dimethyl-4-(2-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidin-2-yl]phenyl]phenyl]-5,5-dimethyl-2-(2-phenylphenyl)-4-(4-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine is sourced from PubChem (CID 123486171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).