6-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9H-carbazol-1-yl]-1-[4-[4-phenyl-6-(6-quinolin-7-yldibenzofuran-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-12,12a-dihydrobenzimidazolo[1,2-c]quinazoline

C89H51N11O2S — CID 154939288

IUPAC6-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9H-carbazol-1-yl]-1-[4-[4-phenyl-6-(6-quinolin-7-yldibenzofuran-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-12,12a-dihydrobenzimidazolo[1,2-c]quinazoline
SMILESc1ccc(-c2nc(-c3cccc4c3sc3ccccc34)nc(-c3cccc4[nH]c5c(C6=Nc7cccc(-c8cc(-c9nc(-c%10ccccc%10)nc(-c%10cccc%11oc%12c(-c%13ccc%14cccnc%14c%13)cccc%12c%10%11)n9)c9oc%10ccccc%10c9c8)c7C7Nc8ccccc8N67)cccc5c34)n2)cc1
InChIInChI=1S/C89H51N11O2S/c1-3-20-50(21-4-1)82-94-84(98-86(96-82)64-35-14-29-58-57-26-8-12-42-74(57)103-81(58)64)61-32-17-37-68-75(61)59-30-15-34-63(78(59)91-68)88-93-69-38-16-27-54(77(69)89-92-67-36-9-10-39-71(67)100(88)89)53-46-65-56-25-7-11-40-72(56)101-80(65)66(47-53)87-97-83(51-22-5-2-6-23-51)95-85(99-87)62-33-18-41-73-76(62)60-31-13-28-55(79(60)102-73)52-44-43-49-24-19-45-90-70(49)48-52/h1-48,89,91-92H
InChIKeyFQHMMOXBKQUFQK-UHFFFAOYSA-N
MW1338.53 g/mol
LogP22.76
Rot. Bonds9

About 6-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9H-carbazol-1-yl]-1-[4-[4-phenyl-6-(6-quinolin-7-yldibenzofuran-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-12,12a-dihydrobenzimidazolo[1,2-c]quinazoline

6-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9H-carbazol-1-yl]-1-[4-[4-phenyl-6-(6-quinolin-7-yldibenzofuran-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-12,12a-dihydrobenzimidazolo[1,2-c]quinazoline (PubChem CID 154939288) has the molecular formula C89H51N11O2S and a molecular weight of 1338.53 g/mol. Its IUPAC name is 6-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9H-carbazol-1-yl]-1-[4-[4-phenyl-6-(6-quinolin-7-yldibenzofuran-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-12,12a-dihydrobenzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name6-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9H-carbazol-1-yl]-1-[4-[4-phenyl-6-(6-quinolin-7-yldibenzofuran-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-12,12a-dihydrobenzimidazolo[1,2-c]quinazoline
PubChem CID154939288
Molecular FormulaC89H51N11O2S
Molecular Weight1338.53 g/mol
Exact Mass1337.39
IUPAC Name6-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9H-carbazol-1-yl]-1-[4-[4-phenyl-6-(6-quinolin-7-yldibenzofuran-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-12,12a-dihydrobenzimidazolo[1,2-c]quinazoline
SMILESc1ccc(-c2nc(-c3cccc4c3sc3ccccc34)nc(-c3cccc4[nH]c5c(C6=Nc7cccc(-c8cc(-c9nc(-c%10ccccc%10)nc(-c%10cccc%11oc%12c(-c%13ccc%14cccnc%14c%13)cccc%12c%10%11)n9)c9oc%10ccccc%10c9c8)c7C7Nc8ccccc8N67)cccc5c34)n2)cc1
InChIInChI=1S/C89H51N11O2S/c1-3-20-50(21-4-1)82-94-84(98-86(96-82)64-35-14-29-58-57-26-8-12-42-74(57)103-81(58)64)61-32-17-37-68-75(61)59-30-15-34-63(78(59)91-68)88-93-69-38-16-27-54(77(69)89-92-67-36-9-10-39-71(67)100(88)89)53-46-65-56-25-7-11-40-72(56)101-80(65)66(47-53)87-97-83(51-22-5-2-6-23-51)95-85(99-87)62-33-18-41-73-76(62)60-31-13-28-55(79(60)102-73)52-44-43-49-24-19-45-90-70(49)48-52/h1-48,89,91-92H
InChIKeyFQHMMOXBKQUFQK-UHFFFAOYSA-N
XLogP22.76
TPSA159.93 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001338.53
LogP ≤ 522.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 6-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9H-carbazol-1-yl]-1-[4-[4-phenyl-6-(6-quinolin-7-yldibenzofuran-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-12,12a-dihydrobenzimidazolo[1,2-c]quinazoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9H-carbazol-1-yl]-1-[4-[4-phenyl-6-(6-quinolin-7-yldibenzofuran-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-12,12a-dihydrobenzimidazolo[1,2-c]quinazoline?
The IUPAC name of 6-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9H-carbazol-1-yl]-1-[4-[4-phenyl-6-(6-quinolin-7-yldibenzofuran-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-12,12a-dihydrobenzimidazolo[1,2-c]quinazoline (CID 154939288) is 6-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9H-carbazol-1-yl]-1-[4-[4-phenyl-6-(6-quinolin-7-yldibenzofuran-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-12,12a-dihydrobenzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for 6-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9H-carbazol-1-yl]-1-[4-[4-phenyl-6-(6-quinolin-7-yldibenzofuran-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-12,12a-dihydrobenzimidazolo[1,2-c]quinazoline?
The canonical SMILES for 6-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9H-carbazol-1-yl]-1-[4-[4-phenyl-6-(6-quinolin-7-yldibenzofuran-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-12,12a-dihydrobenzimidazolo[1,2-c]quinazoline is c1ccc(-c2nc(-c3cccc4c3sc3ccccc34)nc(-c3cccc4[nH]c5c(C6=Nc7cccc(-c8cc(-c9nc(-c%10ccccc%10)nc(-c%10cccc%11oc%12c(-c%13ccc%14cccnc%14c%13)cccc%12c%10%11)n9)c9oc%10ccccc%10c9c8)c7C7Nc8ccccc8N67)cccc5c34)n2)cc1.
What is the InChIKey of 6-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9H-carbazol-1-yl]-1-[4-[4-phenyl-6-(6-quinolin-7-yldibenzofuran-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-12,12a-dihydrobenzimidazolo[1,2-c]quinazoline?
The InChIKey is FQHMMOXBKQUFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C89H51N11O2S/c1-3-20-50(21-4-1)82-94-84(98-86(96-82)64-35-14-29-58-57-26-8-12-42-74(57)103-81(58)64)61-32-17-37-68-75(61)59-30-15-34-63(78(59)91-68)88-93-69-38-16-27-54(77(69)89-92-67-36-9-10-39-71(67)100(88)89)53-46-65-56-25-7-11-40-72(56)101-80(65)66(47-53)87-97-83(51-22-5-2-6-23-51)95-85(99-87)62-33-18-41-73-76(62)60-31-13-28-55(79(60)102-73)52-44-43-49-24-19-45-90-70(49)48-52/h1-48,89,91-92H.
What are the key properties of 6-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9H-carbazol-1-yl]-1-[4-[4-phenyl-6-(6-quinolin-7-yldibenzofuran-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-12,12a-dihydrobenzimidazolo[1,2-c]quinazoline?
6-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9H-carbazol-1-yl]-1-[4-[4-phenyl-6-(6-quinolin-7-yldibenzofuran-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-12,12a-dihydrobenzimidazolo[1,2-c]quinazoline has a molecular weight of 1338.53 g/mol, XLogP of 22.76, 9 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9H-carbazol-1-yl]-1-[4-[4-phenyl-6-(6-quinolin-7-yldibenzofuran-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-12,12a-dihydrobenzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 154939288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).