[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-3,5-dinaphthalen-1-ylphenyl]-triphenylsilane

C62H41NSSi — CID 176724317

IUPAC[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-3,5-dinaphthalen-1-ylphenyl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2cc(-c3cccc4ccccc34)c(-n3c4ccccc4c4ccc5sc6ccccc6c5c43)c(-c3cccc4ccccc34)c2)cc1
InChIInChI=1S/C62H41NSSi/c1-4-24-44(25-5-1)65(45-26-6-2-7-27-45,46-28-8-3-9-29-46)47-40-55(50-34-18-22-42-20-10-12-30-48(42)50)61(56(41-47)51-35-19-23-43-21-11-13-31-49(43)51)63-57-36-16-14-32-52(57)53-38-39-59-60(62(53)63)54-33-15-17-37-58(54)64-59/h1-41H
InChIKeySKYPWQOHNTZARA-UHFFFAOYSA-N
MW860.17 g/mol
LogP14.17
Rot. Bonds7

About [4-([1]benzothiolo[3,2-a]carbazol-12-yl)-3,5-dinaphthalen-1-ylphenyl]-triphenylsilane

[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-3,5-dinaphthalen-1-ylphenyl]-triphenylsilane (PubChem CID 176724317) has the molecular formula C62H41NSSi and a molecular weight of 860.17 g/mol. Its IUPAC name is [4-([1]benzothiolo[3,2-a]carbazol-12-yl)-3,5-dinaphthalen-1-ylphenyl]-triphenylsilane.

Molecular Properties

Compound Name[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-3,5-dinaphthalen-1-ylphenyl]-triphenylsilane
PubChem CID176724317
Molecular FormulaC62H41NSSi
Molecular Weight860.17 g/mol
Exact Mass859.27
IUPAC Name[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-3,5-dinaphthalen-1-ylphenyl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2cc(-c3cccc4ccccc34)c(-n3c4ccccc4c4ccc5sc6ccccc6c5c43)c(-c3cccc4ccccc34)c2)cc1
InChIInChI=1S/C62H41NSSi/c1-4-24-44(25-5-1)65(45-26-6-2-7-27-45,46-28-8-3-9-29-46)47-40-55(50-34-18-22-42-20-10-12-30-48(42)50)61(56(41-47)51-35-19-23-43-21-11-13-31-49(43)51)63-57-36-16-14-32-52(57)53-38-39-59-60(62(53)63)54-33-15-17-37-58(54)64-59/h1-41H
InChIKeySKYPWQOHNTZARA-UHFFFAOYSA-N
XLogP14.17
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500860.17
LogP ≤ 514.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

[4-[3-(1-dibenzothiophen-1-ylcarbazol-9-yl)carbazol-9-yl]-3,5-diphenylphenyl]-triphenylsilane
CID 168762399
[4-(3-dibenzothiophen-1-ylcarbazol-9-yl)-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-triphenylsilane
CID 168762689
12-[2-([1]benzothiolo[3,2-a]carbazol-12-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 167193517
1-dibenzothiophen-1-yl-9-phenylcarbazole
CID 137466628
12-[3-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)phenyl]phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 167192716
dibenzothiophen-1-yl-diphenyl-(9-phenylcarbazol-2-yl)silane
CID 170779705
12-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 164960183
12-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-[3,5-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 160586357
12-([1]benzothiolo[2,3-g][1,3]benzothiazol-2-yl)-[1]benzothiolo[3,2-a]carbazole
CID 167453883
12-(3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaen-4-yl)-[1]benzothiolo[3,2-a]carbazole
CID 138569003
[4-[1-(1-dibenzothiophen-3-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166589134
[3-[4-(2-carbazol-9-ylphenyl)-6-(2-dibenzothiophen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 176722173

Frequently Asked Questions

What is the IUPAC name of [4-([1]benzothiolo[3,2-a]carbazol-12-yl)-3,5-dinaphthalen-1-ylphenyl]-triphenylsilane?
The IUPAC name of [4-([1]benzothiolo[3,2-a]carbazol-12-yl)-3,5-dinaphthalen-1-ylphenyl]-triphenylsilane (CID 176724317) is [4-([1]benzothiolo[3,2-a]carbazol-12-yl)-3,5-dinaphthalen-1-ylphenyl]-triphenylsilane.
What is the SMILES notation for [4-([1]benzothiolo[3,2-a]carbazol-12-yl)-3,5-dinaphthalen-1-ylphenyl]-triphenylsilane?
The canonical SMILES for [4-([1]benzothiolo[3,2-a]carbazol-12-yl)-3,5-dinaphthalen-1-ylphenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2cc(-c3cccc4ccccc34)c(-n3c4ccccc4c4ccc5sc6ccccc6c5c43)c(-c3cccc4ccccc34)c2)cc1.
What is the InChIKey of [4-([1]benzothiolo[3,2-a]carbazol-12-yl)-3,5-dinaphthalen-1-ylphenyl]-triphenylsilane?
The InChIKey is SKYPWQOHNTZARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41NSSi/c1-4-24-44(25-5-1)65(45-26-6-2-7-27-45,46-28-8-3-9-29-46)47-40-55(50-34-18-22-42-20-10-12-30-48(42)50)61(56(41-47)51-35-19-23-43-21-11-13-31-49(43)51)63-57-36-16-14-32-52(57)53-38-39-59-60(62(53)63)54-33-15-17-37-58(54)64-59/h1-41H.
What are the key properties of [4-([1]benzothiolo[3,2-a]carbazol-12-yl)-3,5-dinaphthalen-1-ylphenyl]-triphenylsilane?
[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-3,5-dinaphthalen-1-ylphenyl]-triphenylsilane has a molecular weight of 860.17 g/mol, XLogP of 14.17, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-([1]benzothiolo[3,2-a]carbazol-12-yl)-3,5-dinaphthalen-1-ylphenyl]-triphenylsilane is sourced from PubChem (CID 176724317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).