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

C49H29N5S — CID 146642309

IUPAC12-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5nc(-c6ccc7ccccc7c6)nc(-c6cccc7c6sc6ccccc67)n5)c4c32)cc1
InChIInChI=1S/C49H29N5S/c1-2-15-33(16-3-1)53-41-22-9-6-17-34(41)37-27-28-38-35-18-7-10-23-42(35)54(45(38)44(37)53)49-51-47(32-26-25-30-13-4-5-14-31(30)29-32)50-48(52-49)40-21-12-20-39-36-19-8-11-24-43(36)55-46(39)40/h1-29H
InChIKeyFEJMAPPUAGEYCO-UHFFFAOYSA-N
MW719.87 g/mol
LogP12.92
Rot. Bonds4

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

12-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole (PubChem CID 146642309) has the molecular formula C49H29N5S and a molecular weight of 719.87 g/mol. Its IUPAC name is 12-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
PubChem CID146642309
Molecular FormulaC49H29N5S
Molecular Weight719.87 g/mol
Exact Mass719.21
IUPAC Name12-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5nc(-c6ccc7ccccc7c6)nc(-c6cccc7c6sc6ccccc67)n5)c4c32)cc1
InChIInChI=1S/C49H29N5S/c1-2-15-33(16-3-1)53-41-22-9-6-17-34(41)37-27-28-38-35-18-7-10-23-42(35)54(45(38)44(37)53)49-51-47(32-26-25-30-13-4-5-14-31(30)29-32)50-48(52-49)40-21-12-20-39-36-19-8-11-24-43(36)55-46(39)40/h1-29H
InChIKeyFEJMAPPUAGEYCO-UHFFFAOYSA-N
XLogP12.92
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.87
LogP ≤ 512.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
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-dibenzothiophen-1-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 118888288
12-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 59365869
12-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(3,5-diphenylphenyl)indolo[2,3-a]carbazole
CID 165165508
5-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenylindolo[3,2-c]carbazole
CID 118154221
1-(4-dibenzofuran-3-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 170534650
2-[4-(6-dibenzothiophen-4-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 164736793
4-[4-dibenzothiophen-4-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 170927836
3-carbazol-9-yl-9-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-carbazol-9-yl-9-[4-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole;3-carbazol-9-yl-9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-carbazol-9-yl-9-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 161474425
9-phenyl-1-[4-phenyl-6-(6-phenyldibenzothiophen-3-yl)-1,3,5-triazin-2-yl]carbazole
CID 146616859
12-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(2,6-diphenylphenyl)indolo[2,3-a]carbazole
CID 165165507

Frequently Asked Questions

What is the IUPAC name of 12-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole?
The IUPAC name of 12-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole (CID 146642309) is 12-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole.
What is the SMILES notation for 12-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole?
The canonical SMILES for 12-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole is c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5nc(-c6ccc7ccccc7c6)nc(-c6cccc7c6sc6ccccc67)n5)c4c32)cc1.
What is the InChIKey of 12-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole?
The InChIKey is FEJMAPPUAGEYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N5S/c1-2-15-33(16-3-1)53-41-22-9-6-17-34(41)37-27-28-38-35-18-7-10-23-42(35)54(45(38)44(37)53)49-51-47(32-26-25-30-13-4-5-14-31(30)29-32)50-48(52-49)40-21-12-20-39-36-19-8-11-24-43(36)55-46(39)40/h1-29H.
What are the key properties of 12-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole?
12-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole has a molecular weight of 719.87 g/mol, XLogP of 12.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole is sourced from PubChem (CID 146642309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).