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

C45H26N4OS — CID 166953055

IUPAC9-[4-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2nc(-c3cccc4c3oc3c(-c5cccc6c5sc5ccccc56)cccc34)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C45H26N4OS/c1-2-13-27(14-3-1)43-46-44(48-45(47-43)49-37-24-7-4-15-28(37)29-16-5-8-25-38(29)49)36-23-11-19-32-31-18-10-20-33(40(31)50-41(32)36)35-22-12-21-34-30-17-6-9-26-39(30)51-42(34)35/h1-26H
InChIKeyQMWAQGPQAQFMLV-UHFFFAOYSA-N
MW670.80 g/mol
LogP12.24
Rot. Bonds4

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

9-[4-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole (PubChem CID 166953055) has the molecular formula C45H26N4OS and a molecular weight of 670.80 g/mol. Its IUPAC name is 9-[4-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name9-[4-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
PubChem CID166953055
Molecular FormulaC45H26N4OS
Molecular Weight670.80 g/mol
Exact Mass670.18
IUPAC Name9-[4-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2nc(-c3cccc4c3oc3c(-c5cccc6c5sc5ccccc56)cccc34)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C45H26N4OS/c1-2-13-27(14-3-1)43-46-44(48-45(47-43)49-37-24-7-4-15-28(37)29-16-5-8-25-38(29)49)36-23-11-19-32-31-18-10-20-33(40(31)50-41(32)36)35-22-12-21-34-30-17-6-9-26-39(30)51-42(34)35/h1-26H
InChIKeyQMWAQGPQAQFMLV-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

9-[4-(6-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 163768926
2-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 137496730
9-[4-[3-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358100
9-[6-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]pyrido[2,3-b]indole
CID 156577689
9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylcarbazole
CID 90077403
9-[4-phenyl-6-[3-(6-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 171599823
1-dibenzothiophen-4-yl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole
CID 164950880
9-[4-(8-dibenzothiophen-3-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 166952407
2-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-4-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 168769947
12-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(2,6-diphenylphenyl)indolo[2,3-a]carbazole
CID 165165507
2-dibenzofuran-4-yl-4-(9-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166952530
9-[4-(9-dibenzofuran-1-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155357980

Frequently Asked Questions

What is the IUPAC name of 9-[4-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 9-[4-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole (CID 166953055) is 9-[4-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 9-[4-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 9-[4-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole is c1ccc(-c2nc(-c3cccc4c3oc3c(-c5cccc6c5sc5ccccc56)cccc34)nc(-n3c4ccccc4c4ccccc43)n2)cc1.
What is the InChIKey of 9-[4-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole?
The InChIKey is QMWAQGPQAQFMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H26N4OS/c1-2-13-27(14-3-1)43-46-44(48-45(47-43)49-37-24-7-4-15-28(37)29-16-5-8-25-38(29)49)36-23-11-19-32-31-18-10-20-33(40(31)50-41(32)36)35-22-12-21-34-30-17-6-9-26-39(30)51-42(34)35/h1-26H.
What are the key properties of 9-[4-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole?
9-[4-(6-dibenzothiophen-4-yldibenzofuran-4-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-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 166953055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).