[2-[2-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]carbazol-9-yl]-4-pyridinyl]-triphenylsilane

C49H37N4OSi+ — CID 174134425

IUPAC[2-[2-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]carbazol-9-yl]-4-pyridinyl]-triphenylsilane
SMILESC[n+]1cn(-c2cccc(Oc3ccc4c5ccccc5n(-c5cc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)ccn5)c4c3)c2)c2ccccc21
InChIInChI=1S/C49H37N4OSi/c1-51-35-52(47-27-14-13-26-46(47)51)36-16-15-17-37(32-36)54-38-28-29-44-43-24-11-12-25-45(43)53(48(44)33-38)49-34-42(30-31-50-49)55(39-18-5-2-6-19-39,40-20-7-3-8-21-40)41-22-9-4-10-23-41/h2-35H,1H3/q+1
InChIKeyMNZIUEQQZOTTKB-UHFFFAOYSA-N
MW725.95 g/mol
LogP8.12
Rot. Bonds8

About [2-[2-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]carbazol-9-yl]-4-pyridinyl]-triphenylsilane

[2-[2-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]carbazol-9-yl]-4-pyridinyl]-triphenylsilane (PubChem CID 174134425) has the molecular formula C49H37N4OSi+ and a molecular weight of 725.95 g/mol. Its IUPAC name is [2-[2-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]carbazol-9-yl]-4-pyridinyl]-triphenylsilane.

Molecular Properties

Compound Name[2-[2-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]carbazol-9-yl]-4-pyridinyl]-triphenylsilane
PubChem CID174134425
Molecular FormulaC49H37N4OSi+
Molecular Weight725.95 g/mol
Exact Mass725.27
IUPAC Name[2-[2-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]carbazol-9-yl]-4-pyridinyl]-triphenylsilane
SMILESC[n+]1cn(-c2cccc(Oc3ccc4c5ccccc5n(-c5cc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)ccn5)c4c3)c2)c2ccccc21
InChIInChI=1S/C49H37N4OSi/c1-51-35-52(47-27-14-13-26-46(47)51)36-16-15-17-37(32-36)54-38-28-29-44-43-24-11-12-25-45(43)53(48(44)33-38)49-34-42(30-31-50-49)55(39-18-5-2-6-19-39,40-20-7-3-8-21-40)41-22-9-4-10-23-41/h2-35H,1H3/q+1
InChIKeyMNZIUEQQZOTTKB-UHFFFAOYSA-N
XLogP8.12
TPSA35.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.95
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(trideuteriomethyl)benzimidazol-3-ium-1-yl]phenoxy]carbazole iodide
CID 137364561
[2-[2-(3-bromophenoxy)carbazol-9-yl]-4-pyridinyl]-triphenylsilane
CID 164725465
3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-(3-methylbenzimidazol-3-ium-1-yl)benzonitrile
CID 155636117
9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-2-[[4-(3-methylbenzimidazol-3-ium-1-yl)-2-pyridinyl]oxy]carbazole
CID 168848594
9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-5-phenoxyimidazol-3-ium-1-yl)phenoxy]carbazole;platinum(2+)
CID 175822532
5-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]benzimidazolo[1,2-c]quinazolin-7-ium
CID 162772046
2-[3-[3-(3-tert-butyl-5-phenylphenyl)benzimidazol-3-ium-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenylcarbazole
CID 168761364
6-[3-[3-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-1-ium-1-yl]-5,7-bis(trideuteriomethyl)indolo[2,3-b]carbazole
CID 166006794
9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methylimidazol-3-ium-1-yl)phenoxy]carbazole
CID 154483088
6-[3-[3-[5-(4-tert-butyl-2-pyridinyl)pyrido[3,2-b]indol-7-yl]oxyphenyl]benzimidazol-1-ium-1-yl]-5,7-dimethylindolo[2,3-b]carbazole
CID 166006657
9-(4-tert-butyl-2-pyridinyl)-2-(3-imidazo[1,2-a]imidazol-7-ylphenoxy)carbazole
CID 169289244
9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-phenyl-1,2,4-triazol-4-yl)phenoxy]carbazole
CID 170654633

Frequently Asked Questions

What is the IUPAC name of [2-[2-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]carbazol-9-yl]-4-pyridinyl]-triphenylsilane?
The IUPAC name of [2-[2-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]carbazol-9-yl]-4-pyridinyl]-triphenylsilane (CID 174134425) is [2-[2-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]carbazol-9-yl]-4-pyridinyl]-triphenylsilane.
What is the SMILES notation for [2-[2-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]carbazol-9-yl]-4-pyridinyl]-triphenylsilane?
The canonical SMILES for [2-[2-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]carbazol-9-yl]-4-pyridinyl]-triphenylsilane is C[n+]1cn(-c2cccc(Oc3ccc4c5ccccc5n(-c5cc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)ccn5)c4c3)c2)c2ccccc21.
What is the InChIKey of [2-[2-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]carbazol-9-yl]-4-pyridinyl]-triphenylsilane?
The InChIKey is MNZIUEQQZOTTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H37N4OSi/c1-51-35-52(47-27-14-13-26-46(47)51)36-16-15-17-37(32-36)54-38-28-29-44-43-24-11-12-25-45(43)53(48(44)33-38)49-34-42(30-31-50-49)55(39-18-5-2-6-19-39,40-20-7-3-8-21-40)41-22-9-4-10-23-41/h2-35H,1H3/q+1.
What are the key properties of [2-[2-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]carbazol-9-yl]-4-pyridinyl]-triphenylsilane?
[2-[2-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]carbazol-9-yl]-4-pyridinyl]-triphenylsilane has a molecular weight of 725.95 g/mol, XLogP of 8.12, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]carbazol-9-yl]-4-pyridinyl]-triphenylsilane is sourced from PubChem (CID 174134425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).