4-dibenzofuran-4-yl-9,9-dimethyl-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;4-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;2-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine

C144H102N6O2SSi3 — CID 158862428

IUPAC4-dibenzofuran-4-yl-9,9-dimethyl-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;4-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;2-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine
SMILESC[Si]1(C)c2ccccc2-c2c(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nc(-c3cccc(-c4cccc(-c5ccc(-c6ccccc6)cc5)c4)c3)nc21.C[Si]1(C)c2ccccc2-c2c(-c3cccc4c3oc3ccccc34)nc(-c3cccc(-c4cccc(-c5ccc(-c6ccccc6)cc5)c4)c3)nc21.C[Si]1(C)c2ccccc2-c2c(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc6c5sc5ccccc56)c4)c3)nc21
InChIInChI=1S/C54H38N2OSi.C48H34N2OSi.C42H30N2SSi/c1-58(2)49-24-9-7-20-47(49)50-51(39-31-29-38(30-32-39)44-21-12-22-46-45-19-6-8-23-48(45)57-52(44)46)55-53(56-54(50)58)43-18-11-17-42(34-43)41-16-10-15-40(33-41)37-27-25-36(26-28-37)35-13-4-3-5-14-35;1-52(2)43-24-9-7-20-40(43)44-45(41-22-12-21-39-38-19-6-8-23-42(38)51-46(39)41)49-47(50-48(44)52)37-18-11-17-36(30-37)35-16-10-15-34(29-35)33-27-25-32(26-28-33)31-13-4-3-5-14-31;1-46(2)37-24-9-7-20-35(37)38-39(27-13-4-3-5-14-27)43-41(44-42(38)46)31-18-11-16-29(26-31)28-15-10-17-30(25-28)32-21-12-22-34-33-19-6-8-23-36(33)45-40(32)34/h3-34H,1-2H3;3-30H,1-2H3;3-26H,1-2H3
InChIKeyJAUUXYNHNUYVLW-UHFFFAOYSA-N
MW2064.76 g/mol
LogP35.01
Rot. Bonds15

About 4-dibenzofuran-4-yl-9,9-dimethyl-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;4-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;2-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine

4-dibenzofuran-4-yl-9,9-dimethyl-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;4-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;2-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine (PubChem CID 158862428) has the molecular formula C144H102N6O2SSi3 and a molecular weight of 2064.76 g/mol. Its IUPAC name is 4-dibenzofuran-4-yl-9,9-dimethyl-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;4-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;2-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-dibenzofuran-4-yl-9,9-dimethyl-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;4-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;2-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine
PubChem CID158862428
Molecular FormulaC144H102N6O2SSi3
Molecular Weight2064.76 g/mol
Exact Mass2062.71
IUPAC Name4-dibenzofuran-4-yl-9,9-dimethyl-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;4-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;2-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine
SMILESC[Si]1(C)c2ccccc2-c2c(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nc(-c3cccc(-c4cccc(-c5ccc(-c6ccccc6)cc5)c4)c3)nc21.C[Si]1(C)c2ccccc2-c2c(-c3cccc4c3oc3ccccc34)nc(-c3cccc(-c4cccc(-c5ccc(-c6ccccc6)cc5)c4)c3)nc21.C[Si]1(C)c2ccccc2-c2c(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc6c5sc5ccccc56)c4)c3)nc21
InChIInChI=1S/C54H38N2OSi.C48H34N2OSi.C42H30N2SSi/c1-58(2)49-24-9-7-20-47(49)50-51(39-31-29-38(30-32-39)44-21-12-22-46-45-19-6-8-23-48(45)57-52(44)46)55-53(56-54(50)58)43-18-11-17-42(34-43)41-16-10-15-40(33-41)37-27-25-36(26-28-37)35-13-4-3-5-14-35;1-52(2)43-24-9-7-20-40(43)44-45(41-22-12-21-39-38-19-6-8-23-42(38)51-46(39)41)49-47(50-48(44)52)37-18-11-17-36(30-37)35-16-10-15-34(29-35)33-27-25-32(26-28-33)31-13-4-3-5-14-31;1-46(2)37-24-9-7-20-35(37)38-39(27-13-4-3-5-14-27)43-41(44-42(38)46)31-18-11-16-29(26-31)28-15-10-17-30(25-28)32-21-12-22-34-33-19-6-8-23-36(33)45-40(32)34/h3-34H,1-2H3;3-30H,1-2H3;3-26H,1-2H3
InChIKeyJAUUXYNHNUYVLW-UHFFFAOYSA-N
XLogP35.01
TPSA103.62 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms156
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002064.76
LogP ≤ 535.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 4-dibenzofuran-4-yl-9,9-dimethyl-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;4-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;2-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine with MolForge

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Related Compounds

2-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine
CID 154010703
2-(4-dibenzofuran-4-ylphenyl)-4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazine
CID 130288940
2,4-di(dibenzofuran-4-yl)-9,9-dimethyl-[1]benzosilolo[2,3-d]pyrimidine
CID 154010684
2-(3-dibenzofuran-4-ylphenyl)-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171445309
2-(3-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4,6-diphenyl-1,3,5-triazine
CID 144953430
2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 139404336
2-[3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine
CID 140763872
2-dibenzofuran-1-yl-5,5-dimethyl-4-[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzosilolo[3,2-d]pyrimidine;2-dibenzothiophen-1-yl-5,5-dimethyl-4-[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzosilolo[3,2-d]pyrimidine;2,4-di(dibenzofuran-4-yl)-5,5-dimethyl-[1]benzosilolo[3,2-d]pyrimidine
CID 159052658
2-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-4,9-diphenylpyrimido[4,5-b]indole;2-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-9-phenyl-4-(3-phenylphenyl)pyrimido[4,5-b]indole;2-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-4-(3-phenylphenyl)pyrimido[4,5-b]indole
CID 158442351
2-[3-[4-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-9,9-dimethyl-4-(3-phenylphenyl)-[1]benzosilolo[2,3-d]pyrimidine
CID 140763791
9,9-dimethyl-2,4-bis(3-phenylphenyl)-[1]benzosilolo[2,3-d]pyrimidine
CID 123442715
2-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-4-[3-(3-phenylphenyl)phenyl]-[1]benzosilolo[3,2-d]pyrimidine
CID 154010464

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-4-yl-9,9-dimethyl-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;4-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;2-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine?
The IUPAC name of 4-dibenzofuran-4-yl-9,9-dimethyl-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;4-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;2-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine (CID 158862428) is 4-dibenzofuran-4-yl-9,9-dimethyl-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;4-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;2-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-dibenzofuran-4-yl-9,9-dimethyl-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;4-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;2-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine?
The canonical SMILES for 4-dibenzofuran-4-yl-9,9-dimethyl-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;4-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;2-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine is C[Si]1(C)c2ccccc2-c2c(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nc(-c3cccc(-c4cccc(-c5ccc(-c6ccccc6)cc5)c4)c3)nc21.C[Si]1(C)c2ccccc2-c2c(-c3cccc4c3oc3ccccc34)nc(-c3cccc(-c4cccc(-c5ccc(-c6ccccc6)cc5)c4)c3)nc21.C[Si]1(C)c2ccccc2-c2c(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc6c5sc5ccccc56)c4)c3)nc21.
What is the InChIKey of 4-dibenzofuran-4-yl-9,9-dimethyl-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;4-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;2-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine?
The InChIKey is JAUUXYNHNUYVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N2OSi.C48H34N2OSi.C42H30N2SSi/c1-58(2)49-24-9-7-20-47(49)50-51(39-31-29-38(30-32-39)44-21-12-22-46-45-19-6-8-23-48(45)57-52(44)46)55-53(56-54(50)58)43-18-11-17-42(34-43)41-16-10-15-40(33-41)37-27-25-36(26-28-37)35-13-4-3-5-14-35;1-52(2)43-24-9-7-20-40(43)44-45(41-22-12-21-39-38-19-6-8-23-42(38)51-46(39)41)49-47(50-48(44)52)37-18-11-17-36(30-37)35-16-10-15-34(29-35)33-27-25-32(26-28-33)31-13-4-3-5-14-31;1-46(2)37-24-9-7-20-35(37)38-39(27-13-4-3-5-14-27)43-41(44-42(38)46)31-18-11-16-29(26-31)28-15-10-17-30(25-28)32-21-12-22-34-33-19-6-8-23-36(33)45-40(32)34/h3-34H,1-2H3;3-30H,1-2H3;3-26H,1-2H3.
What are the key properties of 4-dibenzofuran-4-yl-9,9-dimethyl-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;4-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;2-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine?
4-dibenzofuran-4-yl-9,9-dimethyl-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;4-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;2-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine has a molecular weight of 2064.76 g/mol, XLogP of 35.01, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-4-yl-9,9-dimethyl-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;4-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;2-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine is sourced from PubChem (CID 158862428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).