3-carbazol-9-yl-6-[2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenylindolo[2,3-a]carbazol-5-yl]carbazol-9-yl]-[1]benzofuro[2,3-b]pyridine

C74H44N8O — CID 163486449

IUPAC3-carbazol-9-yl-6-[2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenylindolo[2,3-a]carbazol-5-yl]carbazol-9-yl]-[1]benzofuro[2,3-b]pyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccc8oc9ncc(-n%10c%11ccccc%11c%11ccccc%11%10)cc9c8c7)c6c5)c5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1
InChIInChI=1S/C74H44N8O/c1-4-20-45(21-5-1)71-76-72(46-22-6-2-7-23-46)78-74(77-71)82-64-34-18-13-29-54(64)59-43-57(68-56-30-14-19-35-65(56)81(70(68)69(59)82)48-24-8-3-9-25-48)47-36-38-55-53-28-12-15-31-61(53)79(66(55)40-47)49-37-39-67-58(41-49)60-42-50(44-75-73(60)83-67)80-62-32-16-10-26-51(62)52-27-11-17-33-63(52)80/h1-44H
InChIKeyCIYMNXLDKBOUFB-UHFFFAOYSA-N
MW1061.22 g/mol
LogP18.56
Rot. Bonds7

About 3-carbazol-9-yl-6-[2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenylindolo[2,3-a]carbazol-5-yl]carbazol-9-yl]-[1]benzofuro[2,3-b]pyridine

3-carbazol-9-yl-6-[2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenylindolo[2,3-a]carbazol-5-yl]carbazol-9-yl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 163486449) has the molecular formula C74H44N8O and a molecular weight of 1061.22 g/mol. Its IUPAC name is 3-carbazol-9-yl-6-[2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenylindolo[2,3-a]carbazol-5-yl]carbazol-9-yl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name3-carbazol-9-yl-6-[2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenylindolo[2,3-a]carbazol-5-yl]carbazol-9-yl]-[1]benzofuro[2,3-b]pyridine
PubChem CID163486449
Molecular FormulaC74H44N8O
Molecular Weight1061.22 g/mol
Exact Mass1060.36
IUPAC Name3-carbazol-9-yl-6-[2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenylindolo[2,3-a]carbazol-5-yl]carbazol-9-yl]-[1]benzofuro[2,3-b]pyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccc8oc9ncc(-n%10c%11ccccc%11c%11ccccc%11%10)cc9c8c7)c6c5)c5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1
InChIInChI=1S/C74H44N8O/c1-4-20-45(21-5-1)71-76-72(46-22-6-2-7-23-46)78-74(77-71)82-64-34-18-13-29-54(64)59-43-57(68-56-30-14-19-35-65(56)81(70(68)69(59)82)48-24-8-3-9-25-48)47-36-38-55-53-28-12-15-31-61(53)79(66(55)40-47)49-37-39-67-58(41-49)60-42-50(44-75-73(60)83-67)80-62-32-16-10-26-51(62)52-27-11-17-33-63(52)80/h1-44H
InChIKeyCIYMNXLDKBOUFB-UHFFFAOYSA-N
XLogP18.56
TPSA84.42 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001061.22
LogP ≤ 518.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 170255379
5,11-bis(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 170255408
12-(3-phenylphenyl)-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-triphenylen-2-ylindolo[2,3-a]carbazole
CID 170255337
11-dibenzofuran-2-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole
CID 118479991
12-(4-phenylphenyl)-11-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-triphenylen-2-ylindolo[2,3-a]carbazole
CID 170255342
12-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)-5-[9-phenyl-6-[4-(9-phenylcarbazol-3-yl)-6-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3,5-triazin-2-yl]carbazol-2-yl]indolo[2,3-a]carbazole
CID 163929816
12-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole
CID 164954211
5,11-diphenyl-12-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 170255259
5-phenyl-11-(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 170255377
12-dibenzofuran-2-yl-11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 139497007
12-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 170268456
11-(3-carbazol-9-ylphenyl)-12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole
CID 170268393

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-6-[2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenylindolo[2,3-a]carbazol-5-yl]carbazol-9-yl]-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 3-carbazol-9-yl-6-[2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenylindolo[2,3-a]carbazol-5-yl]carbazol-9-yl]-[1]benzofuro[2,3-b]pyridine (CID 163486449) is 3-carbazol-9-yl-6-[2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenylindolo[2,3-a]carbazol-5-yl]carbazol-9-yl]-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 3-carbazol-9-yl-6-[2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenylindolo[2,3-a]carbazol-5-yl]carbazol-9-yl]-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 3-carbazol-9-yl-6-[2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenylindolo[2,3-a]carbazol-5-yl]carbazol-9-yl]-[1]benzofuro[2,3-b]pyridine is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccc8oc9ncc(-n%10c%11ccccc%11c%11ccccc%11%10)cc9c8c7)c6c5)c5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1.
What is the InChIKey of 3-carbazol-9-yl-6-[2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenylindolo[2,3-a]carbazol-5-yl]carbazol-9-yl]-[1]benzofuro[2,3-b]pyridine?
The InChIKey is CIYMNXLDKBOUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H44N8O/c1-4-20-45(21-5-1)71-76-72(46-22-6-2-7-23-46)78-74(77-71)82-64-34-18-13-29-54(64)59-43-57(68-56-30-14-19-35-65(56)81(70(68)69(59)82)48-24-8-3-9-25-48)47-36-38-55-53-28-12-15-31-61(53)79(66(55)40-47)49-37-39-67-58(41-49)60-42-50(44-75-73(60)83-67)80-62-32-16-10-26-51(62)52-27-11-17-33-63(52)80/h1-44H.
What are the key properties of 3-carbazol-9-yl-6-[2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenylindolo[2,3-a]carbazol-5-yl]carbazol-9-yl]-[1]benzofuro[2,3-b]pyridine?
3-carbazol-9-yl-6-[2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenylindolo[2,3-a]carbazol-5-yl]carbazol-9-yl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 1061.22 g/mol, XLogP of 18.56, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-6-[2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenylindolo[2,3-a]carbazol-5-yl]carbazol-9-yl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 163486449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).