12-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole

C88H52N8 — CID 88886985

IUPAC12-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5nc(-c6ccc7c(c6)C6(c8ccccc8-7)c7ccccc7-c7ccc(-n8c9ccccc9c9ccccc98)cc76)nc(-n6c7ccccc7c7ccc8c9ccccc9n(-c9ccccc9)c8c76)n5)c4c32)cc1
InChIInChI=1S/C88H52N8/c1-3-23-54(24-4-1)93-77-39-19-11-31-63(77)67-47-49-69-65-33-13-21-41-79(65)95(83(69)81(67)93)86-89-85(90-87(91-86)96-80-42-22-14-34-66(80)70-50-48-68-64-32-12-20-40-78(64)94(82(68)84(70)96)55-25-5-2-6-26-55)53-43-45-59-57-27-7-15-35-71(57)88(73(59)51-53)72-36-16-8-28-58(72)60-46-44-56(52-74(60)88)92-75-37-17-9-29-61(75)62-30-10-18-38-76(62)92/h1-52H
InChIKeyQJLHRJFJQXZPPX-UHFFFAOYSA-N
MW1221.44 g/mol
LogP21.37
Rot. Bonds6

About 12-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole

12-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole (PubChem CID 88886985) has the molecular formula C88H52N8 and a molecular weight of 1221.44 g/mol. Its IUPAC name is 12-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
PubChem CID88886985
Molecular FormulaC88H52N8
Molecular Weight1221.44 g/mol
Exact Mass1220.43
IUPAC Name12-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5nc(-c6ccc7c(c6)C6(c8ccccc8-7)c7ccccc7-c7ccc(-n8c9ccccc9c9ccccc98)cc76)nc(-n6c7ccccc7c7ccc8c9ccccc9n(-c9ccccc9)c8c76)n5)c4c32)cc1
InChIInChI=1S/C88H52N8/c1-3-23-54(24-4-1)93-77-39-19-11-31-63(77)67-47-49-69-65-33-13-21-41-79(65)95(83(69)81(67)93)86-89-85(90-87(91-86)96-80-42-22-14-34-66(80)70-50-48-68-64-32-12-20-40-78(64)94(82(68)84(70)96)55-25-5-2-6-26-55)53-43-45-59-57-27-7-15-35-71(57)88(73(59)51-53)72-36-16-8-28-58(72)60-46-44-56(52-74(60)88)92-75-37-17-9-29-61(75)62-30-10-18-38-76(62)92/h1-52H
InChIKeyQJLHRJFJQXZPPX-UHFFFAOYSA-N
XLogP21.37
TPSA63.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001221.44
LogP ≤ 521.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 12-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole?
The IUPAC name of 12-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole (CID 88886985) is 12-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole.
What is the SMILES notation for 12-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole?
The canonical SMILES for 12-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole is c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5nc(-c6ccc7c(c6)C6(c8ccccc8-7)c7ccccc7-c7ccc(-n8c9ccccc9c9ccccc98)cc76)nc(-n6c7ccccc7c7ccc8c9ccccc9n(-c9ccccc9)c8c76)n5)c4c32)cc1.
What is the InChIKey of 12-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole?
The InChIKey is QJLHRJFJQXZPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H52N8/c1-3-23-54(24-4-1)93-77-39-19-11-31-63(77)67-47-49-69-65-33-13-21-41-79(65)95(83(69)81(67)93)86-89-85(90-87(91-86)96-80-42-22-14-34-66(80)70-50-48-68-64-32-12-20-40-78(64)94(82(68)84(70)96)55-25-5-2-6-26-55)53-43-45-59-57-27-7-15-35-71(57)88(73(59)51-53)72-36-16-8-28-58(72)60-46-44-56(52-74(60)88)92-75-37-17-9-29-61(75)62-30-10-18-38-76(62)92/h1-52H.
What are the key properties of 12-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole?
12-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole has a molecular weight of 1221.44 g/mol, XLogP of 21.37, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole is sourced from PubChem (CID 88886985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).