5-[3-[4-carbazol-9-yl-6-(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-12-phenylindolo[3,2-c]carbazole

C82H50N8 — CID 118041192

IUPAC5-[3-[4-carbazol-9-yl-6-(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4cc(-c5nc(C6c7ccccc7-c7ccccc76)nc(-n6c7ccccc7c7ccccc76)n5)cc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7)c56)c4)c32)cc1
InChIInChI=1S/C82H50N8/c1-3-23-51(24-4-1)88-67-37-17-13-31-59(67)63-43-45-73-76(78(63)88)65-35-15-21-41-71(65)86(73)53-47-50(48-54(49-53)87-72-42-22-16-36-66(72)77-74(87)46-44-64-60-32-14-18-38-68(60)89(79(64)77)52-25-5-2-6-26-52)80-83-81(75-61-33-9-7-27-55(61)56-28-8-10-34-62(56)75)85-82(84-80)90-69-39-19-11-29-57(69)58-30-12-20-40-70(58)90/h1-49,75H
InChIKeyIRIOUMIYOCWMAI-UHFFFAOYSA-N
MW1147.36 g/mol
LogP20.18
Rot. Bonds7

About 5-[3-[4-carbazol-9-yl-6-(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-12-phenylindolo[3,2-c]carbazole

5-[3-[4-carbazol-9-yl-6-(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-12-phenylindolo[3,2-c]carbazole (PubChem CID 118041192) has the molecular formula C82H50N8 and a molecular weight of 1147.36 g/mol. Its IUPAC name is 5-[3-[4-carbazol-9-yl-6-(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-12-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[3-[4-carbazol-9-yl-6-(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
PubChem CID118041192
Molecular FormulaC82H50N8
Molecular Weight1147.36 g/mol
Exact Mass1146.42
IUPAC Name5-[3-[4-carbazol-9-yl-6-(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4cc(-c5nc(C6c7ccccc7-c7ccccc76)nc(-n6c7ccccc7c7ccccc76)n5)cc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7)c56)c4)c32)cc1
InChIInChI=1S/C82H50N8/c1-3-23-51(24-4-1)88-67-37-17-13-31-59(67)63-43-45-73-76(78(63)88)65-35-15-21-41-71(65)86(73)53-47-50(48-54(49-53)87-72-42-22-16-36-66(72)77-74(87)46-44-64-60-32-14-18-38-68(60)89(79(64)77)52-25-5-2-6-26-52)80-83-81(75-61-33-9-7-27-55(61)56-28-8-10-34-62(56)75)85-82(84-80)90-69-39-19-11-29-57(69)58-30-12-20-40-70(58)90/h1-49,75H
InChIKeyIRIOUMIYOCWMAI-UHFFFAOYSA-N
XLogP20.18
TPSA63.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001147.36
LogP ≤ 520.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[3-[4-carbazol-9-yl-6-(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-12-phenylindolo[3,2-c]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-carbazol-9-yl-6-(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-12-phenylindolo[3,2-c]carbazole?
The IUPAC name of 5-[3-[4-carbazol-9-yl-6-(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-12-phenylindolo[3,2-c]carbazole (CID 118041192) is 5-[3-[4-carbazol-9-yl-6-(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-12-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 5-[3-[4-carbazol-9-yl-6-(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-12-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 5-[3-[4-carbazol-9-yl-6-(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-12-phenylindolo[3,2-c]carbazole is c1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4cc(-c5nc(C6c7ccccc7-c7ccccc76)nc(-n6c7ccccc7c7ccccc76)n5)cc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7)c56)c4)c32)cc1.
What is the InChIKey of 5-[3-[4-carbazol-9-yl-6-(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-12-phenylindolo[3,2-c]carbazole?
The InChIKey is IRIOUMIYOCWMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H50N8/c1-3-23-51(24-4-1)88-67-37-17-13-31-59(67)63-43-45-73-76(78(63)88)65-35-15-21-41-71(65)86(73)53-47-50(48-54(49-53)87-72-42-22-16-36-66(72)77-74(87)46-44-64-60-32-14-18-38-68(60)89(79(64)77)52-25-5-2-6-26-52)80-83-81(75-61-33-9-7-27-55(61)56-28-8-10-34-62(56)75)85-82(84-80)90-69-39-19-11-29-57(69)58-30-12-20-40-70(58)90/h1-49,75H.
What are the key properties of 5-[3-[4-carbazol-9-yl-6-(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-12-phenylindolo[3,2-c]carbazole?
5-[3-[4-carbazol-9-yl-6-(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-12-phenylindolo[3,2-c]carbazole has a molecular weight of 1147.36 g/mol, XLogP of 20.18, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-carbazol-9-yl-6-(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-12-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 118041192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).