3-(4-dibenzofuran-2-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole

C45H26N4OS — CID 170135119

IUPAC3-(4-dibenzofuran-2-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccc6oc7ccccc7c6c5)nc(-c5cccc6c5sc5ccccc56)n4)ccc32)cc1
InChIInChI=1S/C45H26N4OS/c1-2-11-29(12-3-1)49-37-18-7-4-13-30(37)35-25-27(21-23-38(35)49)43-46-44(28-22-24-40-36(26-28)31-14-5-8-19-39(31)50-40)48-45(47-43)34-17-10-16-33-32-15-6-9-20-41(32)51-42(33)34/h1-26H
InChIKeyNPSMQYWMYVDFKK-UHFFFAOYSA-N
MW670.80 g/mol
LogP12.24
Rot. Bonds4

About 3-(4-dibenzofuran-2-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole

3-(4-dibenzofuran-2-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole (PubChem CID 170135119) has the molecular formula C45H26N4OS and a molecular weight of 670.80 g/mol. Its IUPAC name is 3-(4-dibenzofuran-2-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-(4-dibenzofuran-2-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
PubChem CID170135119
Molecular FormulaC45H26N4OS
Molecular Weight670.80 g/mol
Exact Mass670.18
IUPAC Name3-(4-dibenzofuran-2-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccc6oc7ccccc7c6c5)nc(-c5cccc6c5sc5ccccc56)n4)ccc32)cc1
InChIInChI=1S/C45H26N4OS/c1-2-11-29(12-3-1)49-37-18-7-4-13-30(37)35-25-27(21-23-38(35)49)43-46-44(28-22-24-40-36(26-28)31-14-5-8-19-39(31)50-40)48-45(47-43)34-17-10-16-33-32-15-6-9-20-41(32)51-42(33)34/h1-26H
InChIKeyNPSMQYWMYVDFKK-UHFFFAOYSA-N
XLogP12.24
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.80
LogP ≤ 512.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 166953306
3-[8-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole
CID 158230973
9-[8-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]carbazole
CID 166953128
1-(4-dibenzofuran-3-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 170534650
9-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-3-phenylcarbazole
CID 176725762
3-[7-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole
CID 166952314
9-[2-(4-dibenzofuran-2-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)phenyl]-3-naphthalen-1-ylcarbazole
CID 170534455
3-[9-[6-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 158820483
3-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole;3-[7-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-phenylcarbazole;3-[7-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;3-[7-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole
CID 159076977
2-(4-dibenzofuran-2-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 170534556
3-[2-[9-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzothiophen-4-yl]-9-phenylcarbazole
CID 168768197
3-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 129291947

Frequently Asked Questions

What is the IUPAC name of 3-(4-dibenzofuran-2-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole?
The IUPAC name of 3-(4-dibenzofuran-2-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole (CID 170135119) is 3-(4-dibenzofuran-2-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole.
What is the SMILES notation for 3-(4-dibenzofuran-2-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole?
The canonical SMILES for 3-(4-dibenzofuran-2-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccc6oc7ccccc7c6c5)nc(-c5cccc6c5sc5ccccc56)n4)ccc32)cc1.
What is the InChIKey of 3-(4-dibenzofuran-2-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole?
The InChIKey is NPSMQYWMYVDFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H26N4OS/c1-2-11-29(12-3-1)49-37-18-7-4-13-30(37)35-25-27(21-23-38(35)49)43-46-44(28-22-24-40-36(26-28)31-14-5-8-19-39(31)50-40)48-45(47-43)34-17-10-16-33-32-15-6-9-20-41(32)51-42(33)34/h1-26H.
What are the key properties of 3-(4-dibenzofuran-2-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole?
3-(4-dibenzofuran-2-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole has a molecular weight of 670.80 g/mol, XLogP of 12.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-dibenzofuran-2-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole is sourced from PubChem (CID 170135119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).