2-[8-(10,10-diphenylbenzo[b][1,4]benzoxasilin-2-yl)dibenzofuran-2-yl]-10,10-diphenylbenzo[b][1,4]benzoxasiline

C60H40O3Si2 — CID 90153547

IUPAC2-[8-(10,10-diphenylbenzo[b][1,4]benzoxasilin-2-yl)dibenzofuran-2-yl]-10,10-diphenylbenzo[b][1,4]benzoxasiline
SMILESc1ccc([Si]2(c3ccccc3)c3ccccc3Oc3ccc(-c4ccc5oc6ccc(-c7ccc8c(c7)[Si](c7ccccc7)(c7ccccc7)c7ccccc7O8)cc6c5c4)cc32)cc1
InChIInChI=1S/C60H40O3Si2/c1-5-17-45(18-6-1)64(46-19-7-2-8-20-46)57-27-15-13-25-53(57)62-55-35-31-43(39-59(55)64)41-29-33-51-49(37-41)50-38-42(30-34-52(50)61-51)44-32-36-56-60(40-44)65(47-21-9-3-10-22-47,48-23-11-4-12-24-48)58-28-16-14-26-54(58)63-56/h1-40H
InChIKeySSSLGDABQOVKLX-UHFFFAOYSA-N
MW865.15 g/mol
LogP9.89
Rot. Bonds6

About 2-[8-(10,10-diphenylbenzo[b][1,4]benzoxasilin-2-yl)dibenzofuran-2-yl]-10,10-diphenylbenzo[b][1,4]benzoxasiline

2-[8-(10,10-diphenylbenzo[b][1,4]benzoxasilin-2-yl)dibenzofuran-2-yl]-10,10-diphenylbenzo[b][1,4]benzoxasiline (PubChem CID 90153547) has the molecular formula C60H40O3Si2 and a molecular weight of 865.15 g/mol. Its IUPAC name is 2-[8-(10,10-diphenylbenzo[b][1,4]benzoxasilin-2-yl)dibenzofuran-2-yl]-10,10-diphenylbenzo[b][1,4]benzoxasiline.

Molecular Properties

Compound Name2-[8-(10,10-diphenylbenzo[b][1,4]benzoxasilin-2-yl)dibenzofuran-2-yl]-10,10-diphenylbenzo[b][1,4]benzoxasiline
PubChem CID90153547
Molecular FormulaC60H40O3Si2
Molecular Weight865.15 g/mol
Exact Mass864.25
IUPAC Name2-[8-(10,10-diphenylbenzo[b][1,4]benzoxasilin-2-yl)dibenzofuran-2-yl]-10,10-diphenylbenzo[b][1,4]benzoxasiline
SMILESc1ccc([Si]2(c3ccccc3)c3ccccc3Oc3ccc(-c4ccc5oc6ccc(-c7ccc8c(c7)[Si](c7ccccc7)(c7ccccc7)c7ccccc7O8)cc6c5c4)cc32)cc1
InChIInChI=1S/C60H40O3Si2/c1-5-17-45(18-6-1)64(46-19-7-2-8-20-46)57-27-15-13-25-53(57)62-55-35-31-43(39-59(55)64)41-29-33-51-49(37-41)50-38-42(30-34-52(50)61-51)44-32-36-56-60(40-44)65(47-21-9-3-10-22-47,48-23-11-4-12-24-48)58-28-16-14-26-54(58)63-56/h1-40H
InChIKeySSSLGDABQOVKLX-UHFFFAOYSA-N
XLogP9.89
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500865.15
LogP ≤ 59.89
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

9-[8-[8-(2-carbazol-9-yl-10,10-diphenylbenzo[b][1,4]benzoxasilin-8-yl)dibenzofuran-2-yl]-10,10-diphenylbenzo[b][1,4]benzoxasilin-2-yl]carbazole;9-[8-[3-(2-carbazol-9-yl-10,10-diphenylbenzo[b][1,4]benzoxasilin-8-yl)phenyl]-10,10-diphenylbenzo[b][1,4]benzoxasilin-2-yl]carbazole;2-[8-(10,10-diphenylbenzo[b][1,4]benzoxasilin-2-yl)dibenzofuran-2-yl]-10,10-diphenylbenzo[b][1,4]benzoxasiline
CID 157387555
5-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline
CID 90393936
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[4-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)phenyl]-2-phenylpyrimidine
CID 171584528
N-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 140872024
3,6-ditert-butyl-9-(10,10-diphenylbenzo[b][1,4]benzoxasilin-2-yl)carbazole
CID 147463518
N,N-bis(4-phenylphenyl)-10,10'-spirobi[benzo[b][1,4]benzoxasiline]-2-amine;N-[4-(5',5'-diphenylspiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-3-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine;N,4-diphenyl-N-[4-(10,10'-spirobi[benzo[b][1,4]benzoxasiline]-2-yl)phenyl]aniline;N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[benzo[b][1,4]benzothiasiline-10,10'-benzo[b][1,4]benzoxasiline]-3'-amine
CID 162240737
9,27-diphenyl-13,17,21,31-tetraoxanonacyclo[18.14.0.03,18.04,16.06,14.07,12.022,34.024,32.025,30]tetratriaconta-1(20),2,4(16),5,7(12),8,10,14,18,22,24(32),25(30),26,28,33-pentadecaene
CID 58004021
9-[4-(3-dibenzothiophen-2-yl-10-phenylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]carbazole
CID 177291198
N,4-diphenyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]aniline;4-phenyl-N,N-bis(4-phenylphenyl)aniline;4-phenyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-[4-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 158000824
2,8-bis[4-[phenyl-(4-phenylphenyl)methyl]phenyl]dibenzofuran
CID 162785544
8-phenyl-N,N-bis(8-phenyldibenzofuran-2-yl)dibenzofuran-2-amine
CID 59470035
2,8-di(dibenzofuran-2-yl)-10-phenylphenoxazine
CID 126612197

Frequently Asked Questions

What is the IUPAC name of 2-[8-(10,10-diphenylbenzo[b][1,4]benzoxasilin-2-yl)dibenzofuran-2-yl]-10,10-diphenylbenzo[b][1,4]benzoxasiline?
The IUPAC name of 2-[8-(10,10-diphenylbenzo[b][1,4]benzoxasilin-2-yl)dibenzofuran-2-yl]-10,10-diphenylbenzo[b][1,4]benzoxasiline (CID 90153547) is 2-[8-(10,10-diphenylbenzo[b][1,4]benzoxasilin-2-yl)dibenzofuran-2-yl]-10,10-diphenylbenzo[b][1,4]benzoxasiline.
What is the SMILES notation for 2-[8-(10,10-diphenylbenzo[b][1,4]benzoxasilin-2-yl)dibenzofuran-2-yl]-10,10-diphenylbenzo[b][1,4]benzoxasiline?
The canonical SMILES for 2-[8-(10,10-diphenylbenzo[b][1,4]benzoxasilin-2-yl)dibenzofuran-2-yl]-10,10-diphenylbenzo[b][1,4]benzoxasiline is c1ccc([Si]2(c3ccccc3)c3ccccc3Oc3ccc(-c4ccc5oc6ccc(-c7ccc8c(c7)[Si](c7ccccc7)(c7ccccc7)c7ccccc7O8)cc6c5c4)cc32)cc1.
What is the InChIKey of 2-[8-(10,10-diphenylbenzo[b][1,4]benzoxasilin-2-yl)dibenzofuran-2-yl]-10,10-diphenylbenzo[b][1,4]benzoxasiline?
The InChIKey is SSSLGDABQOVKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40O3Si2/c1-5-17-45(18-6-1)64(46-19-7-2-8-20-46)57-27-15-13-25-53(57)62-55-35-31-43(39-59(55)64)41-29-33-51-49(37-41)50-38-42(30-34-52(50)61-51)44-32-36-56-60(40-44)65(47-21-9-3-10-22-47,48-23-11-4-12-24-48)58-28-16-14-26-54(58)63-56/h1-40H.
What are the key properties of 2-[8-(10,10-diphenylbenzo[b][1,4]benzoxasilin-2-yl)dibenzofuran-2-yl]-10,10-diphenylbenzo[b][1,4]benzoxasiline?
2-[8-(10,10-diphenylbenzo[b][1,4]benzoxasilin-2-yl)dibenzofuran-2-yl]-10,10-diphenylbenzo[b][1,4]benzoxasiline has a molecular weight of 865.15 g/mol, XLogP of 9.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(10,10-diphenylbenzo[b][1,4]benzoxasilin-2-yl)dibenzofuran-2-yl]-10,10-diphenylbenzo[b][1,4]benzoxasiline is sourced from PubChem (CID 90153547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).