9-[2-(4-dibenzofuran-2-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)phenyl]-3-naphthalen-1-ylcarbazole

C55H32N4OS — CID 170534455

IUPAC9-[2-(4-dibenzofuran-2-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)phenyl]-3-naphthalen-1-ylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc5ccccc45)ccc32)c(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3cccc4c3sc3ccccc34)n2)c1
InChIInChI=1S/C55H32N4OS/c1-2-15-36-33(13-1)14-11-20-37(36)34-27-29-48-44(31-34)38-16-3-7-23-46(38)59(48)47-24-8-4-19-42(47)54-56-53(35-28-30-50-45(32-35)39-17-5-9-25-49(39)60-50)57-55(58-54)43-22-12-21-41-40-18-6-10-26-51(40)61-52(41)43/h1-32H
InChIKeyWEJPSEIHYMTKQE-UHFFFAOYSA-N
MW796.96 g/mol
LogP15.06
Rot. Bonds5

About 9-[2-(4-dibenzofuran-2-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)phenyl]-3-naphthalen-1-ylcarbazole

9-[2-(4-dibenzofuran-2-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)phenyl]-3-naphthalen-1-ylcarbazole (PubChem CID 170534455) has the molecular formula C55H32N4OS and a molecular weight of 796.96 g/mol. Its IUPAC name is 9-[2-(4-dibenzofuran-2-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)phenyl]-3-naphthalen-1-ylcarbazole.

Molecular Properties

Compound Name9-[2-(4-dibenzofuran-2-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)phenyl]-3-naphthalen-1-ylcarbazole
PubChem CID170534455
Molecular FormulaC55H32N4OS
Molecular Weight796.96 g/mol
Exact Mass796.23
IUPAC Name9-[2-(4-dibenzofuran-2-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)phenyl]-3-naphthalen-1-ylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc5ccccc45)ccc32)c(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3cccc4c3sc3ccccc34)n2)c1
InChIInChI=1S/C55H32N4OS/c1-2-15-36-33(13-1)14-11-20-37(36)34-27-29-48-44(31-34)38-16-3-7-23-46(38)59(48)47-24-8-4-19-42(47)54-56-53(35-28-30-50-45(32-35)39-17-5-9-25-49(39)60-50)57-55(58-54)43-22-12-21-41-40-18-6-10-26-51(40)61-52(41)43/h1-32H
InChIKeyWEJPSEIHYMTKQE-UHFFFAOYSA-N
XLogP15.06
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.96
LogP ≤ 515.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-dibenzofuran-2-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 170135119
5-[2-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole
CID 155043006
5-[3-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 166699163
5-[2-(4-dibenzothiophen-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 146621086
5-[3-(4-dibenzothiophen-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
CID 167348034
3-[8-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole
CID 158230973
9-[2-[4-(3-dibenzothiophen-4-ylphenyl)-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 172500039
5-[2-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621131
5-[2-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 155043007
5-[3-dibenzofuran-2-yl-4-(4-dibenzothiophen-1-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155430641
9-[8-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]carbazole
CID 166953128
3-dibenzofuran-2-yl-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 164956340

Frequently Asked Questions

What is the IUPAC name of 9-[2-(4-dibenzofuran-2-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)phenyl]-3-naphthalen-1-ylcarbazole?
The IUPAC name of 9-[2-(4-dibenzofuran-2-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)phenyl]-3-naphthalen-1-ylcarbazole (CID 170534455) is 9-[2-(4-dibenzofuran-2-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)phenyl]-3-naphthalen-1-ylcarbazole.
What is the SMILES notation for 9-[2-(4-dibenzofuran-2-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)phenyl]-3-naphthalen-1-ylcarbazole?
The canonical SMILES for 9-[2-(4-dibenzofuran-2-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)phenyl]-3-naphthalen-1-ylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4cccc5ccccc45)ccc32)c(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3cccc4c3sc3ccccc34)n2)c1.
What is the InChIKey of 9-[2-(4-dibenzofuran-2-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)phenyl]-3-naphthalen-1-ylcarbazole?
The InChIKey is WEJPSEIHYMTKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H32N4OS/c1-2-15-36-33(13-1)14-11-20-37(36)34-27-29-48-44(31-34)38-16-3-7-23-46(38)59(48)47-24-8-4-19-42(47)54-56-53(35-28-30-50-45(32-35)39-17-5-9-25-49(39)60-50)57-55(58-54)43-22-12-21-41-40-18-6-10-26-51(40)61-52(41)43/h1-32H.
What are the key properties of 9-[2-(4-dibenzofuran-2-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)phenyl]-3-naphthalen-1-ylcarbazole?
9-[2-(4-dibenzofuran-2-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)phenyl]-3-naphthalen-1-ylcarbazole has a molecular weight of 796.96 g/mol, XLogP of 15.06, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4-dibenzofuran-2-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)phenyl]-3-naphthalen-1-ylcarbazole is sourced from PubChem (CID 170534455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).