7-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-8-(3-dibenzothiophen-4-ylphenyl)benzo[c]carbazole;propane

C64H43N5OS — CID 142568154

IUPAC7-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-8-(3-dibenzothiophen-4-ylphenyl)benzo[c]carbazole;propane
SMILESCCC.c1cc(-c2cccc3c2sc2ccccc23)cc(-c2cccc3c4c5ccccc5ccc4n(-c4nc(-c5ccc6c(c5)oc5ccccc56)nc(-n5c6ccccc6c6ccccc65)n4)c23)c1
InChIInChI=1S/C61H35N5OS.C3H8/c1-2-17-40-36(14-1)31-33-52-56(40)49-25-12-22-41(37-15-11-16-38(34-37)42-23-13-24-48-47-21-6-10-29-55(47)68-58(42)48)57(49)66(52)61-63-59(39-30-32-46-45-20-5-9-28-53(45)67-54(46)35-39)62-60(64-61)65-50-26-7-3-18-43(50)44-19-4-8-27-51(44)65;1-3-2/h1-35H;3H2,1-2H3
InChIKeyCDYWAPJWYKOBHF-UHFFFAOYSA-N
MW930.15 g/mol
LogP17.90
Rot. Bonds5

About 7-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-8-(3-dibenzothiophen-4-ylphenyl)benzo[c]carbazole;propane

7-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-8-(3-dibenzothiophen-4-ylphenyl)benzo[c]carbazole;propane (PubChem CID 142568154) has the molecular formula C64H43N5OS and a molecular weight of 930.15 g/mol. Its IUPAC name is 7-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-8-(3-dibenzothiophen-4-ylphenyl)benzo[c]carbazole;propane.

Molecular Properties

Compound Name7-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-8-(3-dibenzothiophen-4-ylphenyl)benzo[c]carbazole;propane
PubChem CID142568154
Molecular FormulaC64H43N5OS
Molecular Weight930.15 g/mol
Exact Mass929.32
IUPAC Name7-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-8-(3-dibenzothiophen-4-ylphenyl)benzo[c]carbazole;propane
SMILESCCC.c1cc(-c2cccc3c2sc2ccccc23)cc(-c2cccc3c4c5ccccc5ccc4n(-c4nc(-c5ccc6c(c5)oc5ccccc56)nc(-n5c6ccccc6c6ccccc65)n4)c23)c1
InChIInChI=1S/C61H35N5OS.C3H8/c1-2-17-40-36(14-1)31-33-52-56(40)49-25-12-22-41(37-15-11-16-38(34-37)42-23-13-24-48-47-21-6-10-29-55(47)68-58(42)48)57(49)66(52)61-63-59(39-30-32-46-45-20-5-9-28-53(45)67-54(46)35-39)62-60(64-61)65-50-26-7-3-18-43(50)44-19-4-8-27-51(44)65;1-3-2/h1-35H;3H2,1-2H3
InChIKeyCDYWAPJWYKOBHF-UHFFFAOYSA-N
XLogP17.90
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500930.15
LogP ≤ 517.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-phenylcarbazole
CID 142568485
7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-8-dibenzothiophen-3-ylbenzo[c]carbazole
CID 142571736
8-dibenzofuran-2-yl-7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[c]carbazole;propane
CID 142569627
7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-8-naphtho[2,1-b][1]benzothiol-9-ylbenzo[c]carbazole;propane
CID 142571781
7-[3-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]-8-(3-dibenzofuran-1-ylphenyl)benzo[c]carbazole
CID 142569498
7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-8-naphtho[2,1-b][1]benzofuran-10-ylbenzo[c]carbazole
CID 142571239
8-dibenzofuran-2-yl-7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 142570296
9-[4-(9-dibenzofuran-3-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155357989
8-dibenzofuran-3-yl-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole
CID 142570283
2-(8-naphtho[2,1-b][1]benzofuran-9-ylbenzo[c]carbazol-7-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 142569946
8-(3-dibenzothiophen-4-ylphenyl)-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 145419218
8-dibenzothiophen-4-yl-7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 142570090

Frequently Asked Questions

What is the IUPAC name of 7-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-8-(3-dibenzothiophen-4-ylphenyl)benzo[c]carbazole;propane?
The IUPAC name of 7-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-8-(3-dibenzothiophen-4-ylphenyl)benzo[c]carbazole;propane (CID 142568154) is 7-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-8-(3-dibenzothiophen-4-ylphenyl)benzo[c]carbazole;propane.
What is the SMILES notation for 7-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-8-(3-dibenzothiophen-4-ylphenyl)benzo[c]carbazole;propane?
The canonical SMILES for 7-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-8-(3-dibenzothiophen-4-ylphenyl)benzo[c]carbazole;propane is CCC.c1cc(-c2cccc3c2sc2ccccc23)cc(-c2cccc3c4c5ccccc5ccc4n(-c4nc(-c5ccc6c(c5)oc5ccccc56)nc(-n5c6ccccc6c6ccccc65)n4)c23)c1.
What is the InChIKey of 7-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-8-(3-dibenzothiophen-4-ylphenyl)benzo[c]carbazole;propane?
The InChIKey is CDYWAPJWYKOBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H35N5OS.C3H8/c1-2-17-40-36(14-1)31-33-52-56(40)49-25-12-22-41(37-15-11-16-38(34-37)42-23-13-24-48-47-21-6-10-29-55(47)68-58(42)48)57(49)66(52)61-63-59(39-30-32-46-45-20-5-9-28-53(45)67-54(46)35-39)62-60(64-61)65-50-26-7-3-18-43(50)44-19-4-8-27-51(44)65;1-3-2/h1-35H;3H2,1-2H3.
What are the key properties of 7-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-8-(3-dibenzothiophen-4-ylphenyl)benzo[c]carbazole;propane?
7-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-8-(3-dibenzothiophen-4-ylphenyl)benzo[c]carbazole;propane has a molecular weight of 930.15 g/mol, XLogP of 17.90, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-8-(3-dibenzothiophen-4-ylphenyl)benzo[c]carbazole;propane is sourced from PubChem (CID 142568154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).