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

C48H31NOSSi — CID 177291202

IUPAC9-[3-[4-(10-dibenzothiophen-4-ylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]phenyl]carbazole
SMILESc1cc(-c2ccc([Si]3(c4cccc5c4sc4ccccc45)c4ccccc4Oc4ccccc43)cc2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C48H31NOSSi/c1-4-19-40-36(15-1)37-16-2-5-20-41(37)49(40)34-14-11-13-33(31-34)32-27-29-35(30-28-32)52(45-24-9-6-21-42(45)50-43-22-7-10-25-46(43)52)47-26-12-18-39-38-17-3-8-23-44(38)51-48(39)47/h1-31H
InChIKeyKFDGBKMIIBYZGW-UHFFFAOYSA-N
MW697.94 g/mol
LogP10.30
Rot. Bonds4

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

9-[3-[4-(10-dibenzothiophen-4-ylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]phenyl]carbazole (PubChem CID 177291202) has the molecular formula C48H31NOSSi and a molecular weight of 697.94 g/mol. Its IUPAC name is 9-[3-[4-(10-dibenzothiophen-4-ylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-[4-(10-dibenzothiophen-4-ylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]phenyl]carbazole
PubChem CID177291202
Molecular FormulaC48H31NOSSi
Molecular Weight697.94 g/mol
Exact Mass697.19
IUPAC Name9-[3-[4-(10-dibenzothiophen-4-ylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]phenyl]carbazole
SMILESc1cc(-c2ccc([Si]3(c4cccc5c4sc4ccccc45)c4ccccc4Oc4ccccc43)cc2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C48H31NOSSi/c1-4-19-40-36(15-1)37-16-2-5-20-41(37)49(40)34-14-11-13-33(31-34)32-27-29-35(30-28-32)52(45-24-9-6-21-42(45)50-43-22-7-10-25-46(43)52)47-26-12-18-39-38-17-3-8-23-44(38)51-48(39)47/h1-31H
InChIKeyKFDGBKMIIBYZGW-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-[4-(3-dibenzothiophen-2-yl-10-phenylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]carbazole
CID 177291198
9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole
CID 67121574
9-(3-dibenzothiophen-4-ylphenyl)carbazole
CID 139307554
3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103
9-[2-[4-[10-(3-phenylphenyl)benzo[b][1,4]benzoxasilin-10-yl]phenyl]phenyl]carbazole
CID 177291134
9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole;9-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]carbazole;9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole;9-[3-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]phenyl]carbazole
CID 158652173
2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 122492279
2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 122492281
3-[3-(4-bromophenyl)-5-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole
CID 118289124
9-[3-[4-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041263
9-[3-[6-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]phenyl]carbazole
CID 140627731

Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-(10-dibenzothiophen-4-ylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]phenyl]carbazole?
The IUPAC name of 9-[3-[4-(10-dibenzothiophen-4-ylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]phenyl]carbazole (CID 177291202) is 9-[3-[4-(10-dibenzothiophen-4-ylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]phenyl]carbazole.
What is the SMILES notation for 9-[3-[4-(10-dibenzothiophen-4-ylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]phenyl]carbazole?
The canonical SMILES for 9-[3-[4-(10-dibenzothiophen-4-ylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]phenyl]carbazole is c1cc(-c2ccc([Si]3(c4cccc5c4sc4ccccc45)c4ccccc4Oc4ccccc43)cc2)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 9-[3-[4-(10-dibenzothiophen-4-ylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]phenyl]carbazole?
The InChIKey is KFDGBKMIIBYZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NOSSi/c1-4-19-40-36(15-1)37-16-2-5-20-41(37)49(40)34-14-11-13-33(31-34)32-27-29-35(30-28-32)52(45-24-9-6-21-42(45)50-43-22-7-10-25-46(43)52)47-26-12-18-39-38-17-3-8-23-44(38)51-48(39)47/h1-31H.
What are the key properties of 9-[3-[4-(10-dibenzothiophen-4-ylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]phenyl]carbazole?
9-[3-[4-(10-dibenzothiophen-4-ylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]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-[3-[4-(10-dibenzothiophen-4-ylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 177291202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).