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

C48H33NOSi — CID 177291134

IUPAC9-[2-[4-[10-(3-phenylphenyl)benzo[b][1,4]benzoxasilin-10-yl]phenyl]phenyl]carbazole
SMILESc1ccc(-c2cccc([Si]3(c4ccc(-c5ccccc5-n5c6ccccc6c6ccccc65)cc4)c4ccccc4Oc4ccccc43)c2)cc1
InChIInChI=1S/C48H33NOSi/c1-2-15-34(16-3-1)36-17-14-18-38(33-36)51(47-27-12-10-25-45(47)50-46-26-11-13-28-48(46)51)37-31-29-35(30-32-37)39-19-4-7-22-42(39)49-43-23-8-5-20-40(43)41-21-6-9-24-44(41)49/h1-33H
InChIKeyAZEVDADQEZDHDJ-UHFFFAOYSA-N
MW667.88 g/mol
LogP9.60
Rot. Bonds5

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

9-[2-[4-[10-(3-phenylphenyl)benzo[b][1,4]benzoxasilin-10-yl]phenyl]phenyl]carbazole (PubChem CID 177291134) has the molecular formula C48H33NOSi and a molecular weight of 667.88 g/mol. Its IUPAC name is 9-[2-[4-[10-(3-phenylphenyl)benzo[b][1,4]benzoxasilin-10-yl]phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[2-[4-[10-(3-phenylphenyl)benzo[b][1,4]benzoxasilin-10-yl]phenyl]phenyl]carbazole
PubChem CID177291134
Molecular FormulaC48H33NOSi
Molecular Weight667.88 g/mol
Exact Mass667.23
IUPAC Name9-[2-[4-[10-(3-phenylphenyl)benzo[b][1,4]benzoxasilin-10-yl]phenyl]phenyl]carbazole
SMILESc1ccc(-c2cccc([Si]3(c4ccc(-c5ccccc5-n5c6ccccc6c6ccccc65)cc4)c4ccccc4Oc4ccccc43)c2)cc1
InChIInChI=1S/C48H33NOSi/c1-2-15-34(16-3-1)36-17-14-18-38(33-36)51(47-27-12-10-25-45(47)50-46-26-11-13-28-48(46)51)37-31-29-35(30-32-37)39-19-4-7-22-42(39)49-43-23-8-5-20-40(43)41-21-6-9-24-44(41)49/h1-33H
InChIKeyAZEVDADQEZDHDJ-UHFFFAOYSA-N
XLogP9.60
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.88
LogP ≤ 59.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 164757371
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
3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[b][1]benzosilol-5-yl]-9-(2-phenylphenyl)carbazole
CID 177132563
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
9-[4-[3-chloro-10-(4-phenylphenyl)benzo[b][1,4]benzoxasilin-10-yl]naphthalen-1-yl]carbazole
CID 177291344
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590713
N-[4-(2-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 138467769
9-(5',5'-diphenylspiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-2'-yl)carbazole
CID 149296374
9-[3-[4-(10-dibenzothiophen-4-ylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]phenyl]carbazole
CID 177291202
9-[2-(2-carbazol-9-yl-4-phenylphenyl)phenyl]carbazole
CID 138513637
9-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-2-yl)phenyl]carbazole
CID 147593529
9-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-3,6-diphenylcarbazole
CID 153426549

Frequently Asked Questions

What is the IUPAC name of 9-[2-[4-[10-(3-phenylphenyl)benzo[b][1,4]benzoxasilin-10-yl]phenyl]phenyl]carbazole?
The IUPAC name of 9-[2-[4-[10-(3-phenylphenyl)benzo[b][1,4]benzoxasilin-10-yl]phenyl]phenyl]carbazole (CID 177291134) is 9-[2-[4-[10-(3-phenylphenyl)benzo[b][1,4]benzoxasilin-10-yl]phenyl]phenyl]carbazole.
What is the SMILES notation for 9-[2-[4-[10-(3-phenylphenyl)benzo[b][1,4]benzoxasilin-10-yl]phenyl]phenyl]carbazole?
The canonical SMILES for 9-[2-[4-[10-(3-phenylphenyl)benzo[b][1,4]benzoxasilin-10-yl]phenyl]phenyl]carbazole is c1ccc(-c2cccc([Si]3(c4ccc(-c5ccccc5-n5c6ccccc6c6ccccc65)cc4)c4ccccc4Oc4ccccc43)c2)cc1.
What is the InChIKey of 9-[2-[4-[10-(3-phenylphenyl)benzo[b][1,4]benzoxasilin-10-yl]phenyl]phenyl]carbazole?
The InChIKey is AZEVDADQEZDHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33NOSi/c1-2-15-34(16-3-1)36-17-14-18-38(33-36)51(47-27-12-10-25-45(47)50-46-26-11-13-28-48(46)51)37-31-29-35(30-32-37)39-19-4-7-22-42(39)49-43-23-8-5-20-40(43)41-21-6-9-24-44(41)49/h1-33H.
What are the key properties of 9-[2-[4-[10-(3-phenylphenyl)benzo[b][1,4]benzoxasilin-10-yl]phenyl]phenyl]carbazole?
9-[2-[4-[10-(3-phenylphenyl)benzo[b][1,4]benzoxasilin-10-yl]phenyl]phenyl]carbazole has a molecular weight of 667.88 g/mol, XLogP of 9.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[4-[10-(3-phenylphenyl)benzo[b][1,4]benzoxasilin-10-yl]phenyl]phenyl]carbazole is sourced from PubChem (CID 177291134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).