9-[8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzofuran-4-yl]carbazole

C51H30N4OS — CID 169010894

IUPAC9-[8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzofuran-4-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)sc3c(-c5ccc6oc7c(-n8c9ccccc9c9ccccc98)cccc7c6c5)cccc34)n2)cc1
InChIInChI=1S/C51H30N4OS/c1-3-13-31(14-4-1)49-52-50(32-15-5-2-6-16-32)54-51(53-49)34-25-27-38-40-21-11-19-35(48(40)57-46(38)30-34)33-26-28-45-41(29-33)39-20-12-24-44(47(39)56-45)55-42-22-9-7-17-36(42)37-18-8-10-23-43(37)55/h1-30H
InChIKeyUBFGGLHUZZLAJK-UHFFFAOYSA-N
MW746.90 g/mol
LogP13.90
Rot. Bonds5

About 9-[8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzofuran-4-yl]carbazole

9-[8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzofuran-4-yl]carbazole (PubChem CID 169010894) has the molecular formula C51H30N4OS and a molecular weight of 746.90 g/mol. Its IUPAC name is 9-[8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzofuran-4-yl]carbazole.

Molecular Properties

Compound Name9-[8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzofuran-4-yl]carbazole
PubChem CID169010894
Molecular FormulaC51H30N4OS
Molecular Weight746.90 g/mol
Exact Mass746.21
IUPAC Name9-[8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzofuran-4-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)sc3c(-c5ccc6oc7c(-n8c9ccccc9c9ccccc98)cccc7c6c5)cccc34)n2)cc1
InChIInChI=1S/C51H30N4OS/c1-3-13-31(14-4-1)49-52-50(32-15-5-2-6-16-32)54-51(53-49)34-25-27-38-40-21-11-19-35(48(40)57-46(38)30-34)33-26-28-45-41(29-33)39-20-12-24-44(47(39)56-45)55-42-22-9-7-17-36(42)37-18-8-10-23-43(37)55/h1-30H
InChIKeyUBFGGLHUZZLAJK-UHFFFAOYSA-N
XLogP13.90
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.90
LogP ≤ 513.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[6-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-3-yl]carbazole
CID 169010999
9-[8-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]dibenzofuran-4-yl]carbazole
CID 169011254
2-(6-dibenzofuran-4-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(2,8-diphenyldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(6,8-diphenyldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[8-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine;9-[6-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 163425573
9-[8-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzofuran-1-yl]carbazole
CID 169011294
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-oxa-20-thiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-17-yl]carbazole
CID 146664228
9-[16-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-oxa-20-thiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-5-yl]carbazole
CID 146664357
9-[4-(8-dibenzothiophen-3-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 166952407
3-[8-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole
CID 158230973
9-[7-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzothiophen-2-yl]carbazole
CID 169011470
9-[6-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzofuran-2-yl]carbazole
CID 169011618
9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzothiophen-1-yl]carbazole
CID 169011191
3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazole
CID 90211464

Frequently Asked Questions

What is the IUPAC name of 9-[8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzofuran-4-yl]carbazole?
The IUPAC name of 9-[8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzofuran-4-yl]carbazole (CID 169010894) is 9-[8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzofuran-4-yl]carbazole.
What is the SMILES notation for 9-[8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzofuran-4-yl]carbazole?
The canonical SMILES for 9-[8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzofuran-4-yl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)sc3c(-c5ccc6oc7c(-n8c9ccccc9c9ccccc98)cccc7c6c5)cccc34)n2)cc1.
What is the InChIKey of 9-[8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzofuran-4-yl]carbazole?
The InChIKey is UBFGGLHUZZLAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4OS/c1-3-13-31(14-4-1)49-52-50(32-15-5-2-6-16-32)54-51(53-49)34-25-27-38-40-21-11-19-35(48(40)57-46(38)30-34)33-26-28-45-41(29-33)39-20-12-24-44(47(39)56-45)55-42-22-9-7-17-36(42)37-18-8-10-23-43(37)55/h1-30H.
What are the key properties of 9-[8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzofuran-4-yl]carbazole?
9-[8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzofuran-4-yl]carbazole has a molecular weight of 746.90 g/mol, XLogP of 13.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzofuran-4-yl]carbazole is sourced from PubChem (CID 169010894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).