9-[4-(9-dibenzothiophen-2-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole

C45H26N4OS — CID 166953299

IUPAC9-[4-(9-dibenzothiophen-2-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccc4oc5cccc(-c6ccc7sc8ccccc8c7c6)c5c4c3)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C45H26N4OS/c1-2-11-27(12-3-1)43-46-44(48-45(47-43)49-36-17-7-4-13-31(36)32-14-5-8-18-37(32)49)29-21-23-38-35(26-29)42-30(16-10-19-39(42)50-38)28-22-24-41-34(25-28)33-15-6-9-20-40(33)51-41/h1-26H
InChIKeyXWWUBGATOMAOMT-UHFFFAOYSA-N
MW670.80 g/mol
LogP12.24
Rot. Bonds4

About 9-[4-(9-dibenzothiophen-2-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole

9-[4-(9-dibenzothiophen-2-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole (PubChem CID 166953299) has the molecular formula C45H26N4OS and a molecular weight of 670.80 g/mol. Its IUPAC name is 9-[4-(9-dibenzothiophen-2-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name9-[4-(9-dibenzothiophen-2-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
PubChem CID166953299
Molecular FormulaC45H26N4OS
Molecular Weight670.80 g/mol
Exact Mass670.18
IUPAC Name9-[4-(9-dibenzothiophen-2-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccc4oc5cccc(-c6ccc7sc8ccccc8c7c6)c5c4c3)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C45H26N4OS/c1-2-11-27(12-3-1)43-46-44(48-45(47-43)49-36-17-7-4-13-31(36)32-14-5-8-18-37(32)49)29-21-23-38-35(26-29)42-30(16-10-19-39(42)50-38)28-22-24-41-34(25-28)33-15-6-9-20-40(33)51-41/h1-26H
InChIKeyXWWUBGATOMAOMT-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-(9-dibenzothiophen-2-yldibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166952247
2-[8-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
CID 158697804
9-[4-[3-(8-dibenzofuran-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358426
3-dibenzothiophen-2-yl-6-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole;6-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-phenyl-2-(9-phenylcarbazol-3-yl)carbazole
CID 158954926
3-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 129291947
2-(3-dibenzofuran-1-ylphenyl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine
CID 166743455
9-[4-[3-(8-dibenzofuran-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358272
3-[9-[9-(4-carbazol-9-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 168768734
9-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]carbazole
CID 169011197
2-dibenzothiophen-2-yl-4-[4-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 134198924
3-[8-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]-9-phenylcarbazole
CID 168768786
3-(9-phenyldibenzofuran-2-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 167309636

Frequently Asked Questions

What is the IUPAC name of 9-[4-(9-dibenzothiophen-2-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 9-[4-(9-dibenzothiophen-2-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole (CID 166953299) is 9-[4-(9-dibenzothiophen-2-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 9-[4-(9-dibenzothiophen-2-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 9-[4-(9-dibenzothiophen-2-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole is c1ccc(-c2nc(-c3ccc4oc5cccc(-c6ccc7sc8ccccc8c7c6)c5c4c3)nc(-n3c4ccccc4c4ccccc43)n2)cc1.
What is the InChIKey of 9-[4-(9-dibenzothiophen-2-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole?
The InChIKey is XWWUBGATOMAOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H26N4OS/c1-2-11-27(12-3-1)43-46-44(48-45(47-43)49-36-17-7-4-13-31(36)32-14-5-8-18-37(32)49)29-21-23-38-35(26-29)42-30(16-10-19-39(42)50-38)28-22-24-41-34(25-28)33-15-6-9-20-40(33)51-41/h1-26H.
What are the key properties of 9-[4-(9-dibenzothiophen-2-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole?
9-[4-(9-dibenzothiophen-2-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole 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 9-[4-(9-dibenzothiophen-2-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 166953299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).