12-[4-(4-dibenzothiophen-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole

C55H33N5S — CID 163934459

IUPAC12-[4-(4-dibenzothiophen-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc(-c6nc(-c7cccc8ccccc78)nc(-c7cccc8c7sc7ccccc78)n6)cc5)c4c32)cc1
InChIInChI=1S/C55H33N5S/c1-2-16-36(17-3-1)59-47-25-9-6-19-39(47)42-32-33-43-40-20-7-10-26-48(40)60(51(43)50(42)59)37-30-28-35(29-31-37)53-56-54(45-23-12-15-34-14-4-5-18-38(34)45)58-55(57-53)46-24-13-22-44-41-21-8-11-27-49(41)61-52(44)46/h1-33H
InChIKeyRLNAYIWFJDBJCV-UHFFFAOYSA-N
MW795.97 g/mol
LogP14.59
Rot. Bonds5

About 12-[4-(4-dibenzothiophen-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole

12-[4-(4-dibenzothiophen-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole (PubChem CID 163934459) has the molecular formula C55H33N5S and a molecular weight of 795.97 g/mol. Its IUPAC name is 12-[4-(4-dibenzothiophen-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-[4-(4-dibenzothiophen-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
PubChem CID163934459
Molecular FormulaC55H33N5S
Molecular Weight795.97 g/mol
Exact Mass795.25
IUPAC Name12-[4-(4-dibenzothiophen-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc(-c6nc(-c7cccc8ccccc78)nc(-c7cccc8c7sc7ccccc78)n6)cc5)c4c32)cc1
InChIInChI=1S/C55H33N5S/c1-2-16-36(17-3-1)59-47-25-9-6-19-39(47)42-32-33-43-40-20-7-10-26-48(40)60(51(43)50(42)59)37-30-28-35(29-31-37)53-56-54(45-23-12-15-34-14-4-5-18-38(34)45)58-55(57-53)46-24-13-22-44-41-21-8-11-27-49(41)61-52(44)46/h1-33H
InChIKeyRLNAYIWFJDBJCV-UHFFFAOYSA-N
XLogP14.59
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.97
LogP ≤ 514.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

12-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 146642309
5-[4-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621664
5-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenylindolo[3,2-c]carbazole
CID 118154221
12-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-[3-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 165165560
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 169036930
12-(4-dibenzothiophen-1-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 118888288
9-phenyl-1-[4-phenyl-6-(6-phenyldibenzothiophen-3-yl)-1,3,5-triazin-2-yl]carbazole
CID 146616859
1-(4-dibenzofuran-3-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 170534650
12-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(3,5-diphenylphenyl)indolo[2,3-a]carbazole
CID 165165508
2-[4-dibenzothiophen-4-yl-6-(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 171445636
2-dibenzothiophen-4-yl-4-naphthalen-1-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 177112658
1-[4-naphthalen-1-yl-6-(3-naphtho[1,2-b][1]benzothiol-9-yl-5-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 164736807

Frequently Asked Questions

What is the IUPAC name of 12-[4-(4-dibenzothiophen-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole?
The IUPAC name of 12-[4-(4-dibenzothiophen-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole (CID 163934459) is 12-[4-(4-dibenzothiophen-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole.
What is the SMILES notation for 12-[4-(4-dibenzothiophen-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole?
The canonical SMILES for 12-[4-(4-dibenzothiophen-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole is c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc(-c6nc(-c7cccc8ccccc78)nc(-c7cccc8c7sc7ccccc78)n6)cc5)c4c32)cc1.
What is the InChIKey of 12-[4-(4-dibenzothiophen-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole?
The InChIKey is RLNAYIWFJDBJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N5S/c1-2-16-36(17-3-1)59-47-25-9-6-19-39(47)42-32-33-43-40-20-7-10-26-48(40)60(51(43)50(42)59)37-30-28-35(29-31-37)53-56-54(45-23-12-15-34-14-4-5-18-38(34)45)58-55(57-53)46-24-13-22-44-41-21-8-11-27-49(41)61-52(44)46/h1-33H.
What are the key properties of 12-[4-(4-dibenzothiophen-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole?
12-[4-(4-dibenzothiophen-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole has a molecular weight of 795.97 g/mol, XLogP of 14.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-(4-dibenzothiophen-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole is sourced from PubChem (CID 163934459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).