5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[9-phenyl-6-(11-phenyl-12H-indeno[2,1-a]carbazol-8-yl)carbazol-3-yl]indolo[3,2-b]carbazole

C82H51N7 — CID 121287012

IUPAC5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[9-phenyl-6-(11-phenyl-12H-indeno[2,1-a]carbazol-8-yl)carbazol-3-yl]indolo[3,2-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)c7ccc9c(c7n8-c7ccccc7)Cc7ccccc7-9)ccc5n6-c5ccccc5)cc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)n2)cc1
InChIInChI=1S/C82H51N7/c1-6-20-51(21-7-1)80-83-81(52-22-8-2-9-23-52)85-82(84-80)89-76-43-37-56(47-68(76)70-50-77-69(49-78(70)89)63-32-18-19-33-72(63)87(77)59-27-12-4-13-28-59)55-35-41-74-67(46-55)66-45-54(34-40-73(66)86(74)58-25-10-3-11-26-58)53-36-42-75-65(44-53)64-39-38-62-61-31-17-16-24-57(61)48-71(62)79(64)88(75)60-29-14-5-15-30-60/h1-47,49-50H,48H2
InChIKeyXJOYDBDUAQSDHA-UHFFFAOYSA-N
MW1134.36 g/mol
LogP20.50
Rot. Bonds8

About 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[9-phenyl-6-(11-phenyl-12H-indeno[2,1-a]carbazol-8-yl)carbazol-3-yl]indolo[3,2-b]carbazole

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[9-phenyl-6-(11-phenyl-12H-indeno[2,1-a]carbazol-8-yl)carbazol-3-yl]indolo[3,2-b]carbazole (PubChem CID 121287012) has the molecular formula C82H51N7 and a molecular weight of 1134.36 g/mol. Its IUPAC name is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[9-phenyl-6-(11-phenyl-12H-indeno[2,1-a]carbazol-8-yl)carbazol-3-yl]indolo[3,2-b]carbazole.

Molecular Properties

Compound Name5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[9-phenyl-6-(11-phenyl-12H-indeno[2,1-a]carbazol-8-yl)carbazol-3-yl]indolo[3,2-b]carbazole
PubChem CID121287012
Molecular FormulaC82H51N7
Molecular Weight1134.36 g/mol
Exact Mass1133.42
IUPAC Name5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[9-phenyl-6-(11-phenyl-12H-indeno[2,1-a]carbazol-8-yl)carbazol-3-yl]indolo[3,2-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)c7ccc9c(c7n8-c7ccccc7)Cc7ccccc7-9)ccc5n6-c5ccccc5)cc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)n2)cc1
InChIInChI=1S/C82H51N7/c1-6-20-51(21-7-1)80-83-81(52-22-8-2-9-23-52)85-82(84-80)89-76-43-37-56(47-68(76)70-50-77-69(49-78(70)89)63-32-18-19-33-72(63)87(77)59-27-12-4-13-28-59)55-35-41-74-67(46-55)66-45-54(34-40-73(66)86(74)58-25-10-3-11-26-58)53-36-42-75-65(44-53)64-39-38-62-61-31-17-16-24-57(61)48-71(62)79(64)88(75)60-29-14-5-15-30-60/h1-47,49-50H,48H2
InChIKeyXJOYDBDUAQSDHA-UHFFFAOYSA-N
XLogP20.50
TPSA58.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001134.36
LogP ≤ 520.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[9-phenyl-6-(11-phenyl-12H-indeno[2,1-a]carbazol-8-yl)carbazol-3-yl]indolo[3,2-b]carbazole with MolForge

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Related Compounds

3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 160782385
3,9-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-phenylcarbazol-2-yl)carbazole
CID 122431757
3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 146573165
3-phenyl-9-[4-[3-(9-phenylcarbazol-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;3-phenyl-9-[4-(9-phenylcarbazol-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 158449783
11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-2-yl]-5-phenylindolo[3,2-b]carbazole
CID 170280570
1-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-11-phenyl-12H-indeno[2,1-a]carbazole
CID 90211397
2-[6-(11,12-diphenylindolo[2,3-a]carbazol-3-yl)-9,9-dimethylfluoren-3-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazole;2-[6-(11,12-diphenylindolo[2,3-a]carbazol-3-yl)-9-(1,3,5-triazin-2-yl)carbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[3,2-b]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-11-phenyl-2-[8-(11-phenyl-12H-indeno[2,1-a]carbazol-8-yl)dibenzothiophen-2-yl]indolo[3,2-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[8-(11-phenyl-12H-indeno[2,1-a]carbazol-8-yl)dibenzofuran-2-yl]indolo[3,2-b]carbazole
CID 158276693
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-triphenylen-2-ylphenyl)indolo[3,2-b]carbazole
CID 170542486
11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole;5-phenyl-11-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
CID 165079921
11-[4-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole
CID 169014141
2-[9-(9H-fluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole
CID 121241625
3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 146573156

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[9-phenyl-6-(11-phenyl-12H-indeno[2,1-a]carbazol-8-yl)carbazol-3-yl]indolo[3,2-b]carbazole?
The IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[9-phenyl-6-(11-phenyl-12H-indeno[2,1-a]carbazol-8-yl)carbazol-3-yl]indolo[3,2-b]carbazole (CID 121287012) is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[9-phenyl-6-(11-phenyl-12H-indeno[2,1-a]carbazol-8-yl)carbazol-3-yl]indolo[3,2-b]carbazole.
What is the SMILES notation for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[9-phenyl-6-(11-phenyl-12H-indeno[2,1-a]carbazol-8-yl)carbazol-3-yl]indolo[3,2-b]carbazole?
The canonical SMILES for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[9-phenyl-6-(11-phenyl-12H-indeno[2,1-a]carbazol-8-yl)carbazol-3-yl]indolo[3,2-b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)c7ccc9c(c7n8-c7ccccc7)Cc7ccccc7-9)ccc5n6-c5ccccc5)cc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)n2)cc1.
What is the InChIKey of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[9-phenyl-6-(11-phenyl-12H-indeno[2,1-a]carbazol-8-yl)carbazol-3-yl]indolo[3,2-b]carbazole?
The InChIKey is XJOYDBDUAQSDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H51N7/c1-6-20-51(21-7-1)80-83-81(52-22-8-2-9-23-52)85-82(84-80)89-76-43-37-56(47-68(76)70-50-77-69(49-78(70)89)63-32-18-19-33-72(63)87(77)59-27-12-4-13-28-59)55-35-41-74-67(46-55)66-45-54(34-40-73(66)86(74)58-25-10-3-11-26-58)53-36-42-75-65(44-53)64-39-38-62-61-31-17-16-24-57(61)48-71(62)79(64)88(75)60-29-14-5-15-30-60/h1-47,49-50H,48H2.
What are the key properties of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[9-phenyl-6-(11-phenyl-12H-indeno[2,1-a]carbazol-8-yl)carbazol-3-yl]indolo[3,2-b]carbazole?
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[9-phenyl-6-(11-phenyl-12H-indeno[2,1-a]carbazol-8-yl)carbazol-3-yl]indolo[3,2-b]carbazole has a molecular weight of 1134.36 g/mol, XLogP of 20.50, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[9-phenyl-6-(11-phenyl-12H-indeno[2,1-a]carbazol-8-yl)carbazol-3-yl]indolo[3,2-b]carbazole is sourced from PubChem (CID 121287012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).