4-(2,6-dimethylphenyl)-2-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-6-(9,9-diphenylxanthen-4-yl)pyridine

C62H45NO2Si — CID 155650594

IUPAC4-(2,6-dimethylphenyl)-2-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-6-(9,9-diphenylxanthen-4-yl)pyridine
SMILESCc1cccc(C)c1-c1cc(-c2cccc3c2Oc2ccccc2C3(c2ccccc2)c2ccccc2)nc(-c2cccc3c2Oc2ccccc2[Si]3(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C62H45NO2Si/c1-42-22-19-23-43(2)59(42)44-40-53(49-32-20-35-52-60(49)64-55-36-16-15-34-51(55)62(52,45-24-7-3-8-25-45)46-26-9-4-10-27-46)63-54(41-44)50-33-21-39-58-61(50)65-56-37-17-18-38-57(56)66(58,47-28-11-5-12-29-47)48-30-13-6-14-31-48/h3-41H,1-2H3
InChIKeyZUQLGUHGVLJFON-UHFFFAOYSA-N
MW864.13 g/mol
LogP12.67
Rot. Bonds7

About 4-(2,6-dimethylphenyl)-2-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-6-(9,9-diphenylxanthen-4-yl)pyridine

4-(2,6-dimethylphenyl)-2-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-6-(9,9-diphenylxanthen-4-yl)pyridine (PubChem CID 155650594) has the molecular formula C62H45NO2Si and a molecular weight of 864.13 g/mol. Its IUPAC name is 4-(2,6-dimethylphenyl)-2-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-6-(9,9-diphenylxanthen-4-yl)pyridine.

Molecular Properties

Compound Name4-(2,6-dimethylphenyl)-2-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-6-(9,9-diphenylxanthen-4-yl)pyridine
PubChem CID155650594
Molecular FormulaC62H45NO2Si
Molecular Weight864.13 g/mol
Exact Mass863.32
IUPAC Name4-(2,6-dimethylphenyl)-2-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-6-(9,9-diphenylxanthen-4-yl)pyridine
SMILESCc1cccc(C)c1-c1cc(-c2cccc3c2Oc2ccccc2C3(c2ccccc2)c2ccccc2)nc(-c2cccc3c2Oc2ccccc2[Si]3(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C62H45NO2Si/c1-42-22-19-23-43(2)59(42)44-40-53(49-32-20-35-52-60(49)64-55-36-16-15-34-51(55)62(52,45-24-7-3-8-25-45)46-26-9-4-10-27-46)63-54(41-44)50-33-21-39-58-61(50)65-56-37-17-18-38-57(56)66(58,47-28-11-5-12-29-47)48-30-13-6-14-31-48/h3-41H,1-2H3
InChIKeyZUQLGUHGVLJFON-UHFFFAOYSA-N
XLogP12.67
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500864.13
LogP ≤ 512.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-4-(9,9-diphenylxanthen-4-yl)-6-phenyl-1,3,5-triazine
CID 155650366
4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-2-phenylpyrimidine;4,6-bis(9,9-diphenylxanthen-4-yl)-2-phenylpyrimidine;[3-[2-(2,6-dimethylphenyl)-6-(3-triphenylsilylphenyl)pyrimidin-4-yl]phenyl]-triphenylsilane;2-(2,4,6-trimethylphenyl)-4,6-bis(3-tritylphenyl)pyrimidine;triphenyl-[3-[2-(2,4,6-trimethylphenyl)-6-(3-triphenylsilylphenyl)pyrimidin-4-yl]phenyl]silane
CID 165102783
bis(4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-2-(2-methylphenyl)pyrimidine);bis(4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-2-phenylpyrimidine)
CID 165014944
2-(2,6-dimethylphenyl)-4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-1,3,5-triazine
CID 155622054
2-(9,9-diphenylxanthen-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 146388535
4-[3-(9,9-diphenylxanthen-4-yl)-5-phenylphenyl]-9,9-diphenylxanthene
CID 171724084
4-(9,9-dimethylfluoren-3-yl)-9,9-diphenylxanthene
CID 170018659
4-(11-methyl-11-phenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene
CID 177127667
2-phenyl-4-(2-phenylphenyl)-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 137388570
2,4-bis(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine
CID 140947259
5,5,8,8-tetraphenyl-N,N-bis(4-phenylphenyl)fluoreno[5,6-b][1,4]benzoxasilin-10-amine
CID 123275102
10-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)dibenzofuran-2-yl]-2,7,9,9-tetraphenylacridine
CID 140937115

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylphenyl)-2-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-6-(9,9-diphenylxanthen-4-yl)pyridine?
The IUPAC name of 4-(2,6-dimethylphenyl)-2-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-6-(9,9-diphenylxanthen-4-yl)pyridine (CID 155650594) is 4-(2,6-dimethylphenyl)-2-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-6-(9,9-diphenylxanthen-4-yl)pyridine.
What is the SMILES notation for 4-(2,6-dimethylphenyl)-2-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-6-(9,9-diphenylxanthen-4-yl)pyridine?
The canonical SMILES for 4-(2,6-dimethylphenyl)-2-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-6-(9,9-diphenylxanthen-4-yl)pyridine is Cc1cccc(C)c1-c1cc(-c2cccc3c2Oc2ccccc2C3(c2ccccc2)c2ccccc2)nc(-c2cccc3c2Oc2ccccc2[Si]3(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 4-(2,6-dimethylphenyl)-2-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-6-(9,9-diphenylxanthen-4-yl)pyridine?
The InChIKey is ZUQLGUHGVLJFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H45NO2Si/c1-42-22-19-23-43(2)59(42)44-40-53(49-32-20-35-52-60(49)64-55-36-16-15-34-51(55)62(52,45-24-7-3-8-25-45)46-26-9-4-10-27-46)63-54(41-44)50-33-21-39-58-61(50)65-56-37-17-18-38-57(56)66(58,47-28-11-5-12-29-47)48-30-13-6-14-31-48/h3-41H,1-2H3.
What are the key properties of 4-(2,6-dimethylphenyl)-2-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-6-(9,9-diphenylxanthen-4-yl)pyridine?
4-(2,6-dimethylphenyl)-2-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-6-(9,9-diphenylxanthen-4-yl)pyridine has a molecular weight of 864.13 g/mol, XLogP of 12.67, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylphenyl)-2-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-6-(9,9-diphenylxanthen-4-yl)pyridine is sourced from PubChem (CID 155650594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).