2-[3,7,10,10-tetrakis(trideuteriomethyl)benzo[b][1,4]benzoxasilin-4-yl]-6-tetraphenylen-2-yl-3,7,10,10-tetrakis(trideuteriomethyl)benzo[b][1,4]benzoxasiline

C56H48O2Si2 — CID 168793005

IUPAC2-[3,7,10,10-tetrakis(trideuteriomethyl)benzo[b][1,4]benzoxasilin-4-yl]-6-tetraphenylen-2-yl-3,7,10,10-tetrakis(trideuteriomethyl)benzo[b][1,4]benzoxasiline
SMILES[2H]C([2H])([2H])c1ccc2c(c1)Oc1c(ccc(C([2H])([2H])[2H])c1-c1cc3c(cc1C([2H])([2H])[2H])Oc1c(ccc(C([2H])([2H])[2H])c1-c1ccc4c(c1)-c1ccccc1-c1ccccc1-c1ccccc1-4)[Si]3(C([2H])([2H])[2H])C([2H])([2H])[2H])[Si]2(C([2H])([2H])[2H])C([2H])([2H])[2H]
InChIInChI=1S/C56H48O2Si2/c1-33-21-26-49-47(29-33)57-56-51(59(49,5)6)28-23-35(3)54(56)45-32-52-48(30-36(45)4)58-55-50(60(52,7)8)27-22-34(2)53(55)37-24-25-44-42-19-12-11-17-40(42)38-15-9-10-16-39(38)41-18-13-14-20-43(41)46(44)31-37/h9-32H,1-8H3/b40-38-,41-39-,44-42-,46-43-/i1D3,2D3,3D3,4D3,5D3,6D3,7D3,8D3
InChIKeyPZYZRNGFMLUBBS-AMRBNBDVSA-N
MW833.32 g/mol
LogP13.09
Rot. Bonds10

About 2-[3,7,10,10-tetrakis(trideuteriomethyl)benzo[b][1,4]benzoxasilin-4-yl]-6-tetraphenylen-2-yl-3,7,10,10-tetrakis(trideuteriomethyl)benzo[b][1,4]benzoxasiline

2-[3,7,10,10-tetrakis(trideuteriomethyl)benzo[b][1,4]benzoxasilin-4-yl]-6-tetraphenylen-2-yl-3,7,10,10-tetrakis(trideuteriomethyl)benzo[b][1,4]benzoxasiline (PubChem CID 168793005) has the molecular formula C56H48O2Si2 and a molecular weight of 833.32 g/mol. Its IUPAC name is 2-[3,7,10,10-tetrakis(trideuteriomethyl)benzo[b][1,4]benzoxasilin-4-yl]-6-tetraphenylen-2-yl-3,7,10,10-tetrakis(trideuteriomethyl)benzo[b][1,4]benzoxasiline.

Molecular Properties

Compound Name2-[3,7,10,10-tetrakis(trideuteriomethyl)benzo[b][1,4]benzoxasilin-4-yl]-6-tetraphenylen-2-yl-3,7,10,10-tetrakis(trideuteriomethyl)benzo[b][1,4]benzoxasiline
PubChem CID168793005
Molecular FormulaC56H48O2Si2
Molecular Weight833.32 g/mol
Exact Mass832.47
IUPAC Name2-[3,7,10,10-tetrakis(trideuteriomethyl)benzo[b][1,4]benzoxasilin-4-yl]-6-tetraphenylen-2-yl-3,7,10,10-tetrakis(trideuteriomethyl)benzo[b][1,4]benzoxasiline
SMILES[2H]C([2H])([2H])c1ccc2c(c1)Oc1c(ccc(C([2H])([2H])[2H])c1-c1cc3c(cc1C([2H])([2H])[2H])Oc1c(ccc(C([2H])([2H])[2H])c1-c1ccc4c(c1)-c1ccccc1-c1ccccc1-c1ccccc1-4)[Si]3(C([2H])([2H])[2H])C([2H])([2H])[2H])[Si]2(C([2H])([2H])[2H])C([2H])([2H])[2H]
InChIInChI=1S/C56H48O2Si2/c1-33-21-26-49-47(29-33)57-56-51(59(49,5)6)28-23-35(3)54(56)45-32-52-48(30-36(45)4)58-55-50(60(52,7)8)27-22-34(2)53(55)37-24-25-44-42-19-12-11-17-40(42)38-15-9-10-16-39(38)41-18-13-14-20-43(41)46(44)31-37/h9-32H,1-8H3/b40-38-,41-39-,44-42-,46-43-/i1D3,2D3,3D3,4D3,5D3,6D3,7D3,8D3
InChIKeyPZYZRNGFMLUBBS-AMRBNBDVSA-N
XLogP13.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.32
LogP ≤ 513.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[3,7,10,10-tetrakis(trideuteriomethyl)benzo[b][1,4]benzoxasilin-4-yl]-6-tetraphenylen-2-yl-3,7,10,10-tetrakis(trideuteriomethyl)benzo[b][1,4]benzoxasiline 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-[3,6,9,9-tetrakis(trideuteriomethyl)xanthen-4-yl]-5-tetraphenylen-2-yl-3,6,9,9-tetrakis(trideuteriomethyl)xanthene
CID 168793077
10,10-dimethyl-4-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-3-(trideuteriomethyl)benzo[b][1,4]benzoxasiline
CID 140947679
4-[5-tetraphenylen-2-yl-3,6,9,9-tetrakis(trideuteriomethyl)xanthen-2-yl]-3-(trideuteriomethyl)benzimidazolo[2,1-b][1,3]benzoxazole
CID 167413395
4-[4-[4-[9,9-bis(trideuteriomethyl)xanthen-4-yl]-2,5-bis(trideuteriomethyl)phenyl]-2,5-bis(trideuteriomethyl)phenyl]-10,10-bis(trideuteriomethyl)benzo[b][1,4]benzoxasiline
CID 168793202
bis[3-[9,9-dimethyl-3,6-bis(trideuteriomethyl)xanthen-4-yl]phenyl]-diphenylsilane
CID 140831734
6-(1,1-dideuterioethyl)-9,9-dimethyl-2-tetraphenylen-2-yl-3-(trideuteriomethyl)xanthene;(9,9-dimethylxanthen-4-yl)-[3-(9,9-dimethylxanthen-4-yl)phenyl]-diphenylsilane;4'-tetraphenylen-2-yl-3',6'-bis(trideuteriomethyl)spiro[9H-anthracene-10,9'-thioxanthene];4'-tetraphenylen-2-yl-3',7'-bis(trideuteriomethyl)spiro[10H-benzo[b][1]benzosiline-5,10'-benzo[b][1,4]benzothiasiline]
CID 157296608
8-(1,1-dideuterioethyl)-7-[5,5,6,6-tetramethyl-10-tetraphenylen-2-yl-2,9-bis(trideuteriomethyl)benzo[b][1,4]benzoxasilepin-8-yl]benzimidazolo[2,1-b][1,3]benzothiazole;8-(1,1-dideuterioethyl)-7-[5,5,6,6-tetramethyl-1-tetraphenylen-2-yl-2,9-bis(trideuteriomethyl)benzo[b][1]benzoxepin-3-yl]benzimidazolo[2,1-b][1,3]benzothiazole;5,5,6,6-tetramethyl-11-[4-tetraphenylen-2-yl-3,6-bis(trideuteriomethyl)-9,9'-spirobi[xanthene]-3'-yl]benzo[b][1]benzazepine
CID 160662923
4-[5-(3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14(19),15,17,20,22-dodecaen-17-yl)-9,9-dimethyl-3,6-bis(trideuteriomethyl)xanthen-2-yl]-3-(trideuteriomethyl)benzimidazolo[2,1-b][1,3]benzoxazole
CID 140920010
4-[5,5,6,6-tetramethyl-10-tetraphenylen-2-yl-2,9-bis(trideuteriomethyl)benzo[b][1]benzothiepin-3-yl]-3-(trideuteriomethyl)benzimidazolo[2,1-b][1,3]benzoxazole
CID 140937511
1,5-dimethyl-4-(trideuteriomethyl)-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-2-yl)pyridin-1-ium
CID 158756758
bis[4-[10,10-bis(trideuteriomethyl)benzo[b][1,4]benzoxasilin-4-yl]-3-(1-deuteriocyclopentyl)phenyl]-diphenylsilane
CID 168793219
3-(1-deuteriocyclopentyl)-4-[6-[3-(1-deuteriocyclopentyl)tetraphenylen-2-yl]-10,10-bis(trideuteriomethyl)benzo[b][1,4]benzoxasilin-2-yl]benzimidazolo[2,1-b][1,3]benzothiazole
CID 167413449

Frequently Asked Questions

What is the IUPAC name of 2-[3,7,10,10-tetrakis(trideuteriomethyl)benzo[b][1,4]benzoxasilin-4-yl]-6-tetraphenylen-2-yl-3,7,10,10-tetrakis(trideuteriomethyl)benzo[b][1,4]benzoxasiline?
The IUPAC name of 2-[3,7,10,10-tetrakis(trideuteriomethyl)benzo[b][1,4]benzoxasilin-4-yl]-6-tetraphenylen-2-yl-3,7,10,10-tetrakis(trideuteriomethyl)benzo[b][1,4]benzoxasiline (CID 168793005) is 2-[3,7,10,10-tetrakis(trideuteriomethyl)benzo[b][1,4]benzoxasilin-4-yl]-6-tetraphenylen-2-yl-3,7,10,10-tetrakis(trideuteriomethyl)benzo[b][1,4]benzoxasiline.
What is the SMILES notation for 2-[3,7,10,10-tetrakis(trideuteriomethyl)benzo[b][1,4]benzoxasilin-4-yl]-6-tetraphenylen-2-yl-3,7,10,10-tetrakis(trideuteriomethyl)benzo[b][1,4]benzoxasiline?
The canonical SMILES for 2-[3,7,10,10-tetrakis(trideuteriomethyl)benzo[b][1,4]benzoxasilin-4-yl]-6-tetraphenylen-2-yl-3,7,10,10-tetrakis(trideuteriomethyl)benzo[b][1,4]benzoxasiline is [2H]C([2H])([2H])c1ccc2c(c1)Oc1c(ccc(C([2H])([2H])[2H])c1-c1cc3c(cc1C([2H])([2H])[2H])Oc1c(ccc(C([2H])([2H])[2H])c1-c1ccc4c(c1)-c1ccccc1-c1ccccc1-c1ccccc1-4)[Si]3(C([2H])([2H])[2H])C([2H])([2H])[2H])[Si]2(C([2H])([2H])[2H])C([2H])([2H])[2H].
What is the InChIKey of 2-[3,7,10,10-tetrakis(trideuteriomethyl)benzo[b][1,4]benzoxasilin-4-yl]-6-tetraphenylen-2-yl-3,7,10,10-tetrakis(trideuteriomethyl)benzo[b][1,4]benzoxasiline?
The InChIKey is PZYZRNGFMLUBBS-AMRBNBDVSA-N. The full InChI is InChI=1S/C56H48O2Si2/c1-33-21-26-49-47(29-33)57-56-51(59(49,5)6)28-23-35(3)54(56)45-32-52-48(30-36(45)4)58-55-50(60(52,7)8)27-22-34(2)53(55)37-24-25-44-42-19-12-11-17-40(42)38-15-9-10-16-39(38)41-18-13-14-20-43(41)46(44)31-37/h9-32H,1-8H3/b40-38-,41-39-,44-42-,46-43-/i1D3,2D3,3D3,4D3,5D3,6D3,7D3,8D3.
What are the key properties of 2-[3,7,10,10-tetrakis(trideuteriomethyl)benzo[b][1,4]benzoxasilin-4-yl]-6-tetraphenylen-2-yl-3,7,10,10-tetrakis(trideuteriomethyl)benzo[b][1,4]benzoxasiline?
2-[3,7,10,10-tetrakis(trideuteriomethyl)benzo[b][1,4]benzoxasilin-4-yl]-6-tetraphenylen-2-yl-3,7,10,10-tetrakis(trideuteriomethyl)benzo[b][1,4]benzoxasiline has a molecular weight of 833.32 g/mol, XLogP of 13.09, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,7,10,10-tetrakis(trideuteriomethyl)benzo[b][1,4]benzoxasilin-4-yl]-6-tetraphenylen-2-yl-3,7,10,10-tetrakis(trideuteriomethyl)benzo[b][1,4]benzoxasiline is sourced from PubChem (CID 168793005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).