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

C45H26N4OS — CID 170534355

IUPAC4-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3c(-c4nc(-c5ccc6c(c5)oc5ccccc56)nc(-c5cccc6sc7ccccc7c56)n4)cccc32)cc1
InChIInChI=1S/C45H26N4OS/c1-2-12-28(13-3-1)49-35-19-7-4-15-31(35)41-33(17-10-20-36(41)49)44-46-43(27-24-25-30-29-14-5-8-21-37(29)50-38(30)26-27)47-45(48-44)34-18-11-23-40-42(34)32-16-6-9-22-39(32)51-40/h1-26H
InChIKeyKIJRPQGLVSLUEC-UHFFFAOYSA-N
MW670.80 g/mol
LogP12.24
Rot. Bonds4

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

4-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole (PubChem CID 170534355) has the molecular formula C45H26N4OS and a molecular weight of 670.80 g/mol. Its IUPAC name is 4-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name4-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
PubChem CID170534355
Molecular FormulaC45H26N4OS
Molecular Weight670.80 g/mol
Exact Mass670.18
IUPAC Name4-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3c(-c4nc(-c5ccc6c(c5)oc5ccccc56)nc(-c5cccc6sc7ccccc7c56)n4)cccc32)cc1
InChIInChI=1S/C45H26N4OS/c1-2-12-28(13-3-1)49-35-19-7-4-15-31(35)41-33(17-10-20-36(41)49)44-46-43(27-24-25-30-29-14-5-8-21-37(29)50-38(30)26-27)47-45(48-44)34-18-11-23-40-42(34)32-16-6-9-22-39(32)51-40/h1-26H
InChIKeyKIJRPQGLVSLUEC-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

2-(4-dibenzofuran-2-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 170534556
1-[9-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 168767741
3-[8-[9-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-1-yl]-9-phenylcarbazole
CID 168768745
4-[7-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
CID 158491258
2-[7-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 168767810
2-dibenzofuran-1-yl-4,6-diphenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4,6-diphenyl-1,3,5-triazine;3-dibenzofuran-1-yl-9-phenylcarbazole;2-dibenzothiophen-1-yl-4,6-diphenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4,6-diphenyl-1,3,5-triazine
CID 163752902
4-[2-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-9-phenylcarbazole
CID 170192736
4-[3-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 146572654
3-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-phenylcarbazole
CID 158680520
2-[7-[9-[4-(7-dibenzothiophen-1-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 168768205
2-[9-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 160819302
3-[9-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(4-dibenzofuran-4-ylphenyl)carbazole
CID 168767904

Frequently Asked Questions

What is the IUPAC name of 4-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole?
The IUPAC name of 4-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole (CID 170534355) is 4-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole.
What is the SMILES notation for 4-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole?
The canonical SMILES for 4-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3c(-c4nc(-c5ccc6c(c5)oc5ccccc56)nc(-c5cccc6sc7ccccc7c56)n4)cccc32)cc1.
What is the InChIKey of 4-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole?
The InChIKey is KIJRPQGLVSLUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H26N4OS/c1-2-12-28(13-3-1)49-35-19-7-4-15-31(35)41-33(17-10-20-36(41)49)44-46-43(27-24-25-30-29-14-5-8-21-37(29)50-38(30)26-27)47-45(48-44)34-18-11-23-40-42(34)32-16-6-9-22-39(32)51-40/h1-26H.
What are the key properties of 4-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole?
4-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-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 4-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole is sourced from PubChem (CID 170534355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).