2-[5-(2-carbazol-9-ylphenyl)-2-chloro-3-[4-(3-triphenylsilylphenyl)phenoxy]phenyl]phenol

C60H42ClNO2Si — CID 177105090

IUPAC2-[5-(2-carbazol-9-ylphenyl)-2-chloro-3-[4-(3-triphenylsilylphenyl)phenoxy]phenyl]phenol
SMILESOc1ccccc1-c1cc(-c2ccccc2-n2c3ccccc3c3ccccc32)cc(Oc2ccc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)cc2)c1Cl
InChIInChI=1S/C60H42ClNO2Si/c61-60-54(53-30-13-17-34-58(53)63)40-44(50-27-10-14-31-55(50)62-56-32-15-11-28-51(56)52-29-12-16-33-57(52)62)41-59(60)64-45-37-35-42(36-38-45)43-19-18-26-49(39-43)65(46-20-4-1-5-21-46,47-22-6-2-7-23-47)48-24-8-3-9-25-48/h1-41,63H
InChIKeyMAVKSCMLBQNPMJ-UHFFFAOYSA-N
MW872.54 g/mol
LogP13.31
Rot. Bonds10

About 2-[5-(2-carbazol-9-ylphenyl)-2-chloro-3-[4-(3-triphenylsilylphenyl)phenoxy]phenyl]phenol

2-[5-(2-carbazol-9-ylphenyl)-2-chloro-3-[4-(3-triphenylsilylphenyl)phenoxy]phenyl]phenol (PubChem CID 177105090) has the molecular formula C60H42ClNO2Si and a molecular weight of 872.54 g/mol. Its IUPAC name is 2-[5-(2-carbazol-9-ylphenyl)-2-chloro-3-[4-(3-triphenylsilylphenyl)phenoxy]phenyl]phenol.

Molecular Properties

Compound Name2-[5-(2-carbazol-9-ylphenyl)-2-chloro-3-[4-(3-triphenylsilylphenyl)phenoxy]phenyl]phenol
PubChem CID177105090
Molecular FormulaC60H42ClNO2Si
Molecular Weight872.54 g/mol
Exact Mass871.27
IUPAC Name2-[5-(2-carbazol-9-ylphenyl)-2-chloro-3-[4-(3-triphenylsilylphenyl)phenoxy]phenyl]phenol
SMILESOc1ccccc1-c1cc(-c2ccccc2-n2c3ccccc3c3ccccc32)cc(Oc2ccc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)cc2)c1Cl
InChIInChI=1S/C60H42ClNO2Si/c61-60-54(53-30-13-17-34-58(53)63)40-44(50-27-10-14-31-55(50)62-56-32-15-11-28-51(56)52-29-12-16-33-57(52)62)41-59(60)64-45-37-35-42(36-38-45)43-19-18-26-49(39-43)65(46-20-4-1-5-21-46,47-22-6-2-7-23-47)48-24-8-3-9-25-48/h1-41,63H
InChIKeyMAVKSCMLBQNPMJ-UHFFFAOYSA-N
XLogP13.31
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500872.54
LogP ≤ 513.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

triphenyl-[3-[2-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane
CID 169290688
[3-[4-(2-carbazol-9-ylphenyl)-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-phenyl-bis(3-phenylphenyl)silane
CID 168836386
[3-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-triphenylsilane
CID 162490205
[4-[3-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]carbazol-9-yl]-3,5-diphenylphenyl]-diphenyl-(3-phenylphenyl)silane
CID 168762463
triphenyl-[6-phenyl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-3-yl]silane
CID 170515246
(3,5-diphenylphenyl)-[3,5-diphenyl-4-[3-[9-(2-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-diphenylsilane
CID 168762444
triphenyl-[9-[6-phenyl-9-(2-phenylphenyl)carbazol-2-yl]carbazol-2-yl]silane
CID 170515763
9-[2-(2-carbazol-9-yl-4-phenylphenyl)phenyl]carbazole
CID 138513637
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
[4-[5-(3,6-diphenylcarbazol-9-yl)naphthalen-1-yl]phenyl]-triphenylsilane
CID 59372180
[9-[9-(2,4-diphenylphenyl)carbazol-2-yl]carbazol-3-yl]-triphenylsilane
CID 170516153
triphenyl-[9-[9-[4-(2-phenylphenyl)phenyl]carbazol-4-yl]carbazol-2-yl]silane
CID 170515899

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-carbazol-9-ylphenyl)-2-chloro-3-[4-(3-triphenylsilylphenyl)phenoxy]phenyl]phenol?
The IUPAC name of 2-[5-(2-carbazol-9-ylphenyl)-2-chloro-3-[4-(3-triphenylsilylphenyl)phenoxy]phenyl]phenol (CID 177105090) is 2-[5-(2-carbazol-9-ylphenyl)-2-chloro-3-[4-(3-triphenylsilylphenyl)phenoxy]phenyl]phenol.
What is the SMILES notation for 2-[5-(2-carbazol-9-ylphenyl)-2-chloro-3-[4-(3-triphenylsilylphenyl)phenoxy]phenyl]phenol?
The canonical SMILES for 2-[5-(2-carbazol-9-ylphenyl)-2-chloro-3-[4-(3-triphenylsilylphenyl)phenoxy]phenyl]phenol is Oc1ccccc1-c1cc(-c2ccccc2-n2c3ccccc3c3ccccc32)cc(Oc2ccc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)cc2)c1Cl.
What is the InChIKey of 2-[5-(2-carbazol-9-ylphenyl)-2-chloro-3-[4-(3-triphenylsilylphenyl)phenoxy]phenyl]phenol?
The InChIKey is MAVKSCMLBQNPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42ClNO2Si/c61-60-54(53-30-13-17-34-58(53)63)40-44(50-27-10-14-31-55(50)62-56-32-15-11-28-51(56)52-29-12-16-33-57(52)62)41-59(60)64-45-37-35-42(36-38-45)43-19-18-26-49(39-43)65(46-20-4-1-5-21-46,47-22-6-2-7-23-47)48-24-8-3-9-25-48/h1-41,63H.
What are the key properties of 2-[5-(2-carbazol-9-ylphenyl)-2-chloro-3-[4-(3-triphenylsilylphenyl)phenoxy]phenyl]phenol?
2-[5-(2-carbazol-9-ylphenyl)-2-chloro-3-[4-(3-triphenylsilylphenyl)phenoxy]phenyl]phenol has a molecular weight of 872.54 g/mol, XLogP of 13.31, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-carbazol-9-ylphenyl)-2-chloro-3-[4-(3-triphenylsilylphenyl)phenoxy]phenyl]phenol is sourced from PubChem (CID 177105090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).