2-(8-butyldibenzofuran-4-yl)-9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole

C49H34N4OS — CID 167001646

IUPAC2-(8-butyldibenzofuran-4-yl)-9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
SMILESCCCCc1ccc2oc3c(-c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7cccc8c7sc7ccccc78)n6)c5c4)cccc3c2c1
InChIInChI=1S/C49H34N4OS/c1-2-3-13-30-24-27-43-40(28-30)37-19-11-18-33(45(37)54-43)32-25-26-35-34-16-7-9-22-41(34)53(42(35)29-32)49-51-47(31-14-5-4-6-15-31)50-48(52-49)39-21-12-20-38-36-17-8-10-23-44(36)55-46(38)39/h4-12,14-29H,2-3,13H2,1H3
InChIKeyNGKVBSVDXQITME-UHFFFAOYSA-N
MW726.91 g/mol
LogP13.58
Rot. Bonds7

About 2-(8-butyldibenzofuran-4-yl)-9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole

2-(8-butyldibenzofuran-4-yl)-9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole (PubChem CID 167001646) has the molecular formula C49H34N4OS and a molecular weight of 726.91 g/mol. Its IUPAC name is 2-(8-butyldibenzofuran-4-yl)-9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole.

Molecular Properties

Compound Name2-(8-butyldibenzofuran-4-yl)-9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
PubChem CID167001646
Molecular FormulaC49H34N4OS
Molecular Weight726.91 g/mol
Exact Mass726.25
IUPAC Name2-(8-butyldibenzofuran-4-yl)-9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
SMILESCCCCc1ccc2oc3c(-c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7cccc8c7sc7ccccc78)n6)c5c4)cccc3c2c1
InChIInChI=1S/C49H34N4OS/c1-2-3-13-30-24-27-43-40(28-30)37-19-11-18-33(45(37)54-43)32-25-26-35-34-16-7-9-22-41(34)53(42(35)29-32)49-51-47(31-14-5-4-6-15-31)50-48(52-49)39-21-12-20-38-36-17-8-10-23-44(36)55-46(38)39/h4-12,14-29H,2-3,13H2,1H3
InChIKeyNGKVBSVDXQITME-UHFFFAOYSA-N
XLogP13.58
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.91
LogP ≤ 513.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(7-butyldibenzofuran-2-yl)-9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 167001737
3-[8-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole
CID 158230973
3-(3-dibenzofuran-2-ylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-(3-dibenzofuran-4-ylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-(3-dibenzothiophen-4-ylphenyl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole
CID 161059365
3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazole;2-dibenzofuran-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazole
CID 158797000
2-(7-butyldibenzofuran-2-yl)-9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 167001435
3-[7-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole
CID 166952314
9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylcarbazole
CID 90077403
2-dibenzofuran-4-yl-9-[2-phenyl-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole;2-dibenzothiophen-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole
CID 165073222
9-[4-(8-dibenzothiophen-3-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 166952407
3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole;4-[4-(3-dibenzothiophen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole;4-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 161402392
2-(3-dibenzofuran-4-ylphenyl)-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171445309
9-[6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]dibenzofuran-2-yl]carbazole
CID 169011262

Frequently Asked Questions

What is the IUPAC name of 2-(8-butyldibenzofuran-4-yl)-9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole?
The IUPAC name of 2-(8-butyldibenzofuran-4-yl)-9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole (CID 167001646) is 2-(8-butyldibenzofuran-4-yl)-9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole.
What is the SMILES notation for 2-(8-butyldibenzofuran-4-yl)-9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole?
The canonical SMILES for 2-(8-butyldibenzofuran-4-yl)-9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole is CCCCc1ccc2oc3c(-c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7cccc8c7sc7ccccc78)n6)c5c4)cccc3c2c1.
What is the InChIKey of 2-(8-butyldibenzofuran-4-yl)-9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole?
The InChIKey is NGKVBSVDXQITME-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N4OS/c1-2-3-13-30-24-27-43-40(28-30)37-19-11-18-33(45(37)54-43)32-25-26-35-34-16-7-9-22-41(34)53(42(35)29-32)49-51-47(31-14-5-4-6-15-31)50-48(52-49)39-21-12-20-38-36-17-8-10-23-44(36)55-46(38)39/h4-12,14-29H,2-3,13H2,1H3.
What are the key properties of 2-(8-butyldibenzofuran-4-yl)-9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole?
2-(8-butyldibenzofuran-4-yl)-9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole has a molecular weight of 726.91 g/mol, XLogP of 13.58, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-butyldibenzofuran-4-yl)-9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole is sourced from PubChem (CID 167001646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).