[2-[2-(5,10,10-triphenylsilanthren-5-yl)carbazol-9-yl]phenyl]boronic acid

C48H36BNO2Si2 — CID 164757312

IUPAC[2-[2-(5,10,10-triphenylsilanthren-5-yl)carbazol-9-yl]phenyl]boronic acid
SMILESOB(O)c1ccccc1-n1c2ccccc2c2ccc([Si]3(c4ccccc4)c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4ccccc43)cc21
InChIInChI=1S/C48H36BNO2Si2/c51-49(52)41-25-11-13-27-43(41)50-42-26-12-10-24-39(42)40-33-32-38(34-44(40)50)54(37-22-8-3-9-23-37)47-30-16-14-28-45(47)53(35-18-4-1-5-19-35,36-20-6-2-7-21-36)46-29-15-17-31-48(46)54/h1-34,51-52H
InChIKeyXOIWKQCUPSBAPU-UHFFFAOYSA-N
MW725.81 g/mol
LogP3.53
Rot. Bonds6

About [2-[2-(5,10,10-triphenylsilanthren-5-yl)carbazol-9-yl]phenyl]boronic acid

[2-[2-(5,10,10-triphenylsilanthren-5-yl)carbazol-9-yl]phenyl]boronic acid (PubChem CID 164757312) has the molecular formula C48H36BNO2Si2 and a molecular weight of 725.81 g/mol. Its IUPAC name is [2-[2-(5,10,10-triphenylsilanthren-5-yl)carbazol-9-yl]phenyl]boronic acid.

Molecular Properties

Compound Name[2-[2-(5,10,10-triphenylsilanthren-5-yl)carbazol-9-yl]phenyl]boronic acid
PubChem CID164757312
Molecular FormulaC48H36BNO2Si2
Molecular Weight725.81 g/mol
Exact Mass725.24
IUPAC Name[2-[2-(5,10,10-triphenylsilanthren-5-yl)carbazol-9-yl]phenyl]boronic acid
SMILESOB(O)c1ccccc1-n1c2ccccc2c2ccc([Si]3(c4ccccc4)c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4ccccc43)cc21
InChIInChI=1S/C48H36BNO2Si2/c51-49(52)41-25-11-13-27-43(41)50-42-26-12-10-24-39(42)40-33-32-38(34-44(40)50)54(37-22-8-3-9-23-37)47-30-16-14-28-45(47)53(35-18-4-1-5-19-35,36-20-6-2-7-21-36)46-29-15-17-31-48(46)54/h1-34,51-52H
InChIKeyXOIWKQCUPSBAPU-UHFFFAOYSA-N
XLogP3.53
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500725.81
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-2-(5,10,10-triphenylsilanthren-5-yl)carbazole
CID 164757364
3-[5-(5,11-diphenylindolo[3,2-b]carbazol-3-yl)benzo[b][1]benzosilol-5-yl]-5,11-diphenylindolo[3,2-b]carbazole
CID 140937968
triphenyl-[4-[2-[2-(5,10,10-triphenylsilanthren-5-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane;triphenyl-[4-[3-[2-(5,10,10-triphenylsilanthren-5-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane;triphenyl-[4-[4-[2-(5,10,10-triphenylsilanthren-5-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 165021658
3-carbazol-9-yl-6-[2-(10-phenylbenzo[b][1,4]benzothiasilin-10-yl)carbazol-9-yl]-9-(2-phenylphenyl)carbazole
CID 164757340
8,8-bis(3-carbazol-9-ylphenyl)-14,14-diphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 162768964
8,8,24-triphenyl-24-aza-8-silahexacyclo[13.11.0.02,7.09,14.017,25.018,23]hexacosa-1(15),2,4,6,9,11,13,16,18,20,22,25-dodecaene
CID 177069958
8-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-8,14,14-triphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 162769013
9-[2-[4-[10-(3-phenylphenyl)benzo[b][1,4]benzoxasilin-10-yl]phenyl]phenyl]carbazole
CID 177291134
9-[4-(20-phenyl-20-silapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaen-20-yl)phenyl]carbazole
CID 164739104
11-[3-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole
CID 140873106
10,10-diphenyl-5-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[b][1,4]benzazasiline
CID 90393939
2-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 164757371

Frequently Asked Questions

What is the IUPAC name of [2-[2-(5,10,10-triphenylsilanthren-5-yl)carbazol-9-yl]phenyl]boronic acid?
The IUPAC name of [2-[2-(5,10,10-triphenylsilanthren-5-yl)carbazol-9-yl]phenyl]boronic acid (CID 164757312) is [2-[2-(5,10,10-triphenylsilanthren-5-yl)carbazol-9-yl]phenyl]boronic acid.
What is the SMILES notation for [2-[2-(5,10,10-triphenylsilanthren-5-yl)carbazol-9-yl]phenyl]boronic acid?
The canonical SMILES for [2-[2-(5,10,10-triphenylsilanthren-5-yl)carbazol-9-yl]phenyl]boronic acid is OB(O)c1ccccc1-n1c2ccccc2c2ccc([Si]3(c4ccccc4)c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4ccccc43)cc21.
What is the InChIKey of [2-[2-(5,10,10-triphenylsilanthren-5-yl)carbazol-9-yl]phenyl]boronic acid?
The InChIKey is XOIWKQCUPSBAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36BNO2Si2/c51-49(52)41-25-11-13-27-43(41)50-42-26-12-10-24-39(42)40-33-32-38(34-44(40)50)54(37-22-8-3-9-23-37)47-30-16-14-28-45(47)53(35-18-4-1-5-19-35,36-20-6-2-7-21-36)46-29-15-17-31-48(46)54/h1-34,51-52H.
What are the key properties of [2-[2-(5,10,10-triphenylsilanthren-5-yl)carbazol-9-yl]phenyl]boronic acid?
[2-[2-(5,10,10-triphenylsilanthren-5-yl)carbazol-9-yl]phenyl]boronic acid has a molecular weight of 725.81 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(5,10,10-triphenylsilanthren-5-yl)carbazol-9-yl]phenyl]boronic acid is sourced from PubChem (CID 164757312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).