5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-3-yl]-12-phenylindolo[3,2-c]carbazole

C52H33N5 — CID 144953418

IUPAC5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-3-yl]-12-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3Cc3ccc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7)c56)cc3-4)n2)cc1
InChIInChI=1S/C52H33N5/c1-4-15-33(16-5-1)50-53-51(34-17-6-2-7-18-34)55-52(54-50)41-24-14-23-38-43-32-37(28-27-35(43)31-44(38)41)56-46-26-13-11-22-42(46)48-47(56)30-29-40-39-21-10-12-25-45(39)57(49(40)48)36-19-8-3-9-20-36/h1-30,32H,31H2
InChIKeyDLHMHJMNTFUOGL-UHFFFAOYSA-N
MW727.87 g/mol
LogP12.64
Rot. Bonds5

About 5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-3-yl]-12-phenylindolo[3,2-c]carbazole

5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-3-yl]-12-phenylindolo[3,2-c]carbazole (PubChem CID 144953418) has the molecular formula C52H33N5 and a molecular weight of 727.87 g/mol. Its IUPAC name is 5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-3-yl]-12-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-3-yl]-12-phenylindolo[3,2-c]carbazole
PubChem CID144953418
Molecular FormulaC52H33N5
Molecular Weight727.87 g/mol
Exact Mass727.27
IUPAC Name5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-3-yl]-12-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3Cc3ccc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7)c56)cc3-4)n2)cc1
InChIInChI=1S/C52H33N5/c1-4-15-33(16-5-1)50-53-51(34-17-6-2-7-18-34)55-52(54-50)41-24-14-23-38-43-32-37(28-27-35(43)31-44(38)41)56-46-26-13-11-22-42(46)48-47(56)30-29-40-39-21-10-12-25-45(39)57(49(40)48)36-19-8-3-9-20-36/h1-30,32H,31H2
InChIKeyDLHMHJMNTFUOGL-UHFFFAOYSA-N
XLogP12.64
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.87
LogP ≤ 512.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazol-12-yl]-5,12-diphenylindolo[3,2-c]carbazole
CID 134598155
2-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenylindolo[3,2-c]carbazol-5-yl]-5,12-diphenylindolo[3,2-c]carbazole
CID 134598075
5-(9H-fluoren-3-yl)-12-phenylindolo[3,2-c]carbazole
CID 121289125
5-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 169014315
12-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 169014428
5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 139496723
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-triphenylen-2-ylindolo[3,2-c]carbazole
CID 159182727
5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-naphthalen-2-ylindolo[3,2-c]carbazole
CID 156530949
12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-5-phenylindolo[3,2-c]carbazole
CID 118699664
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]indole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 157300404
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126628160
12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 169037201

Frequently Asked Questions

What is the IUPAC name of 5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-3-yl]-12-phenylindolo[3,2-c]carbazole?
The IUPAC name of 5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-3-yl]-12-phenylindolo[3,2-c]carbazole (CID 144953418) is 5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-3-yl]-12-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-3-yl]-12-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-3-yl]-12-phenylindolo[3,2-c]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3Cc3ccc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7)c56)cc3-4)n2)cc1.
What is the InChIKey of 5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-3-yl]-12-phenylindolo[3,2-c]carbazole?
The InChIKey is DLHMHJMNTFUOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N5/c1-4-15-33(16-5-1)50-53-51(34-17-6-2-7-18-34)55-52(54-50)41-24-14-23-38-43-32-37(28-27-35(43)31-44(38)41)56-46-26-13-11-22-42(46)48-47(56)30-29-40-39-21-10-12-25-45(39)57(49(40)48)36-19-8-3-9-20-36/h1-30,32H,31H2.
What are the key properties of 5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-3-yl]-12-phenylindolo[3,2-c]carbazole?
5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-3-yl]-12-phenylindolo[3,2-c]carbazole has a molecular weight of 727.87 g/mol, XLogP of 12.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-3-yl]-12-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 144953418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).