2-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-4-(9,9-diphenylxanthen-4-yl)-6-phenyl-1,3,5-triazine

C58H39N3O2Si — CID 155650366

IUPAC2-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-4-(9,9-diphenylxanthen-4-yl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc4c3Oc3ccccc3C4(c3ccccc3)c3ccccc3)nc(-c3cccc4c3Oc3ccccc3[Si]4(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C58H39N3O2Si/c1-6-22-40(23-7-1)55-59-56(45-32-20-35-48-53(45)62-49-36-17-16-34-47(49)58(48,41-24-8-2-9-25-41)42-26-10-3-11-27-42)61-57(60-55)46-33-21-39-52-54(46)63-50-37-18-19-38-51(50)64(52,43-28-12-4-13-29-43)44-30-14-5-15-31-44/h1-39H
InChIKeySBWDVRXIOHEDAI-UHFFFAOYSA-N
MW838.06 g/mol
LogP10.84
Rot. Bonds7

About 2-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-4-(9,9-diphenylxanthen-4-yl)-6-phenyl-1,3,5-triazine

2-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-4-(9,9-diphenylxanthen-4-yl)-6-phenyl-1,3,5-triazine (PubChem CID 155650366) has the molecular formula C58H39N3O2Si and a molecular weight of 838.06 g/mol. Its IUPAC name is 2-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-4-(9,9-diphenylxanthen-4-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-4-(9,9-diphenylxanthen-4-yl)-6-phenyl-1,3,5-triazine
PubChem CID155650366
Molecular FormulaC58H39N3O2Si
Molecular Weight838.06 g/mol
Exact Mass837.28
IUPAC Name2-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-4-(9,9-diphenylxanthen-4-yl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc4c3Oc3ccccc3C4(c3ccccc3)c3ccccc3)nc(-c3cccc4c3Oc3ccccc3[Si]4(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C58H39N3O2Si/c1-6-22-40(23-7-1)55-59-56(45-32-20-35-48-53(45)62-49-36-17-16-34-47(49)58(48,41-24-8-2-9-25-41)42-26-10-3-11-27-42)61-57(60-55)46-33-21-39-52-54(46)63-50-37-18-19-38-51(50)64(52,43-28-12-4-13-29-43)44-30-14-5-15-31-44/h1-39H
InChIKeySBWDVRXIOHEDAI-UHFFFAOYSA-N
XLogP10.84
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500838.06
LogP ≤ 510.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-4-(9,9-diphenylxanthen-4-yl)-6-phenyl-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(9,9-diphenylxanthen-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 146388535
4-(2,6-dimethylphenyl)-2-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-6-(9,9-diphenylxanthen-4-yl)pyridine
CID 155650594
4-[4-(9,9-diphenylxanthen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]naphthalene-1-carbonitrile
CID 166031257
2-(2,6-dimethylphenyl)-4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-1,3,5-triazine
CID 155622054
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
4-[4-(9,9-diphenylxanthen-4-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 163506983
2-[4-[4-[4-(9,9-diphenylxanthen-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 166031227
4-[4-[4-(9,9-diphenylxanthen-4-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 166031308
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
2-(9,9-diphenylxanthen-4-yl)-4-[9-(6-methylcyclohexa-1,3-dien-1-yl)-9-phenylxanthen-4-yl]-6-phenyl-1,3,5-triazine
CID 174297442
2,4-diphenyl-6-[4-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]-1,3,5-triazine
CID 137388725
2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine
CID 130379042

Frequently Asked Questions

What is the IUPAC name of 2-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-4-(9,9-diphenylxanthen-4-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-4-(9,9-diphenylxanthen-4-yl)-6-phenyl-1,3,5-triazine (CID 155650366) is 2-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-4-(9,9-diphenylxanthen-4-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-4-(9,9-diphenylxanthen-4-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-4-(9,9-diphenylxanthen-4-yl)-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3cccc4c3Oc3ccccc3C4(c3ccccc3)c3ccccc3)nc(-c3cccc4c3Oc3ccccc3[Si]4(c3ccccc3)c3ccccc3)n2)cc1.
What is the InChIKey of 2-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-4-(9,9-diphenylxanthen-4-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is SBWDVRXIOHEDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39N3O2Si/c1-6-22-40(23-7-1)55-59-56(45-32-20-35-48-53(45)62-49-36-17-16-34-47(49)58(48,41-24-8-2-9-25-41)42-26-10-3-11-27-42)61-57(60-55)46-33-21-39-52-54(46)63-50-37-18-19-38-51(50)64(52,43-28-12-4-13-29-43)44-30-14-5-15-31-44/h1-39H.
What are the key properties of 2-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-4-(9,9-diphenylxanthen-4-yl)-6-phenyl-1,3,5-triazine?
2-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-4-(9,9-diphenylxanthen-4-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 838.06 g/mol, XLogP of 10.84, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-4-(9,9-diphenylxanthen-4-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 155650366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).