9-[4-(3-dibenzothiophen-2-yl-10-phenylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]carbazole

C48H31NOSSi — CID 177291198

IUPAC9-[4-(3-dibenzothiophen-2-yl-10-phenylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]carbazole
SMILESc1ccc([Si]2(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccccc3Oc3cc(-c4ccc5sc6ccccc6c5c4)ccc32)cc1
InChIInChI=1S/C48H31NOSSi/c1-2-12-35(13-3-1)52(36-26-24-34(25-27-36)49-41-17-7-4-14-37(41)38-15-5-8-18-42(38)49)47-21-11-9-19-43(47)50-44-31-33(23-29-48(44)52)32-22-28-46-40(30-32)39-16-6-10-20-45(39)51-46/h1-31H
InChIKeyVSPVKBBRXOUBDH-UHFFFAOYSA-N
MW697.94 g/mol
LogP10.30
Rot. Bonds4

About 9-[4-(3-dibenzothiophen-2-yl-10-phenylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]carbazole

9-[4-(3-dibenzothiophen-2-yl-10-phenylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]carbazole (PubChem CID 177291198) has the molecular formula C48H31NOSSi and a molecular weight of 697.94 g/mol. Its IUPAC name is 9-[4-(3-dibenzothiophen-2-yl-10-phenylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[4-(3-dibenzothiophen-2-yl-10-phenylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]carbazole
PubChem CID177291198
Molecular FormulaC48H31NOSSi
Molecular Weight697.94 g/mol
Exact Mass697.19
IUPAC Name9-[4-(3-dibenzothiophen-2-yl-10-phenylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]carbazole
SMILESc1ccc([Si]2(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccccc3Oc3cc(-c4ccc5sc6ccccc6c5c4)ccc32)cc1
InChIInChI=1S/C48H31NOSSi/c1-2-12-35(13-3-1)52(36-26-24-34(25-27-36)49-41-17-7-4-14-37(41)38-15-5-8-18-42(38)49)47-21-11-9-19-43(47)50-44-31-33(23-29-48(44)52)32-22-28-46-40(30-32)39-16-6-10-20-45(39)51-46/h1-31H
InChIKeyVSPVKBBRXOUBDH-UHFFFAOYSA-N
XLogP10.30
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.94
LogP ≤ 510.30
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-[4-[4-[10-(4-dibenzothiophen-3-ylphenyl)-3-(6-phenyldibenzothiophen-4-yl)benzo[b][1,4]benzoxasilin-10-yl]phenyl]phenyl]carbazole
CID 177291379
9-[3-[4-(10-dibenzothiophen-4-ylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]phenyl]carbazole
CID 177291202
9-(5',5'-diphenylspiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-2'-yl)carbazole
CID 149296374
3-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 138474901
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
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90351069
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline
CID 90077208
9-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-2-yl)phenyl]carbazole
CID 147593529
9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-(3-phenylphenyl)carbazole
CID 163975488
9-[6-[3-dibenzothiophen-2-yl-10-(9,9-dimethylfluoren-4-yl)benzo[b][1,4]benzoxasilin-10-yl]dibenzofuran-3-yl]carbazole
CID 177291228
2-(2-dibenzothiophen-2-yl-5,5-diphenylbenzo[b][1]benzosilol-8-yl)dibenzothiophene
CID 177091653
9-(8-dibenzothiophen-2-yldibenzothiophen-3-yl)carbazole
CID 170688683

Frequently Asked Questions

What is the IUPAC name of 9-[4-(3-dibenzothiophen-2-yl-10-phenylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]carbazole?
The IUPAC name of 9-[4-(3-dibenzothiophen-2-yl-10-phenylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]carbazole (CID 177291198) is 9-[4-(3-dibenzothiophen-2-yl-10-phenylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]carbazole.
What is the SMILES notation for 9-[4-(3-dibenzothiophen-2-yl-10-phenylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]carbazole?
The canonical SMILES for 9-[4-(3-dibenzothiophen-2-yl-10-phenylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]carbazole is c1ccc([Si]2(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccccc3Oc3cc(-c4ccc5sc6ccccc6c5c4)ccc32)cc1.
What is the InChIKey of 9-[4-(3-dibenzothiophen-2-yl-10-phenylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]carbazole?
The InChIKey is VSPVKBBRXOUBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NOSSi/c1-2-12-35(13-3-1)52(36-26-24-34(25-27-36)49-41-17-7-4-14-37(41)38-15-5-8-18-42(38)49)47-21-11-9-19-43(47)50-44-31-33(23-29-48(44)52)32-22-28-46-40(30-32)39-16-6-10-20-45(39)51-46/h1-31H.
What are the key properties of 9-[4-(3-dibenzothiophen-2-yl-10-phenylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]carbazole?
9-[4-(3-dibenzothiophen-2-yl-10-phenylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]carbazole has a molecular weight of 697.94 g/mol, XLogP of 10.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(3-dibenzothiophen-2-yl-10-phenylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]carbazole is sourced from PubChem (CID 177291198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).