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

C63H36N4O2S — CID 163840544

IUPAC6-dibenzofuran-4-yl-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-(3-dibenzothiophen-3-ylphenyl)carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-n3c4ccc(-c5cccc6c5oc5ccccc56)cc4c4cccc(-c5cccc(-c6ccc7c(c6)sc6ccccc67)c5)c43)n2)cc1
InChIInChI=1S/C63H36N4O2S/c1-2-13-37(14-3-1)61-64-62(42-28-30-47-45-17-4-7-24-54(45)68-56(47)35-42)66-63(65-61)67-53-32-29-41(44-21-12-23-51-46-18-5-8-25-55(46)69-60(44)51)34-52(53)50-22-11-20-43(59(50)67)40-16-10-15-38(33-40)39-27-31-49-48-19-6-9-26-57(48)70-58(49)36-39/h1-36H
InChIKeyOLPJIEQRVLUCHF-UHFFFAOYSA-N
MW913.07 g/mol
LogP17.47
Rot. Bonds6

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

6-dibenzofuran-4-yl-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-(3-dibenzothiophen-3-ylphenyl)carbazole (PubChem CID 163840544) has the molecular formula C63H36N4O2S and a molecular weight of 913.07 g/mol. Its IUPAC name is 6-dibenzofuran-4-yl-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-(3-dibenzothiophen-3-ylphenyl)carbazole.

Molecular Properties

Compound Name6-dibenzofuran-4-yl-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-(3-dibenzothiophen-3-ylphenyl)carbazole
PubChem CID163840544
Molecular FormulaC63H36N4O2S
Molecular Weight913.07 g/mol
Exact Mass912.26
IUPAC Name6-dibenzofuran-4-yl-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-(3-dibenzothiophen-3-ylphenyl)carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-n3c4ccc(-c5cccc6c5oc5ccccc56)cc4c4cccc(-c5cccc(-c6ccc7c(c6)sc6ccccc67)c5)c43)n2)cc1
InChIInChI=1S/C63H36N4O2S/c1-2-13-37(14-3-1)61-64-62(42-28-30-47-45-17-4-7-24-54(45)68-56(47)35-42)66-63(65-61)67-53-32-29-41(44-21-12-23-51-46-18-5-8-25-55(46)69-60(44)51)34-52(53)50-22-11-20-43(59(50)67)40-16-10-15-38(33-40)39-27-31-49-48-19-6-9-26-57(48)70-58(49)36-39/h1-36H
InChIKeyOLPJIEQRVLUCHF-UHFFFAOYSA-N
XLogP17.47
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500913.07
LogP ≤ 517.47
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
4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole
CID 142567912
12-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole;12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)indolo[3,2-c]carbazole;12-[4-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole;12-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole
CID 158343531
4-(3-dibenzofuran-4-ylphenyl)-5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole;ethane
CID 142568556
9-[4-(8-dibenzothiophen-3-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 166952407
11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-(3-dibenzothiophen-2-ylphenyl)benzo[a]carbazole
CID 142569486
2-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(3-dibenzofuran-3-ylphenyl)-4-(4-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;4-(4-dibenzofuran-3-ylphenyl)-6-phenyl-2-[4-(4-phenylphenyl)phenyl]pyrimidine;2-(3-dibenzothiophen-3-ylphenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazine;2-phenyl-4,6-bis(6-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 157115619
6-carbazol-9-yl-1-(3-dibenzofuran-4-ylphenyl)-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;propane
CID 142568683
3-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 164757806
1-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-6,9-diphenylcarbazole
CID 159616127
9-[4-(6-dibenzofuran-1-yldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[4-(6-dibenzofuran-3-yldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[4-(7-dibenzothiophen-1-yldibenzothiophen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-(7-dibenzothiophen-2-yldibenzothiophen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-(7-dibenzothiophen-3-yldibenzothiophen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-(7-dibenzothiophen-4-yldibenzothiophen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 159584337
9-[4-(6-dibenzofuran-3-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358310

Frequently Asked Questions

What is the IUPAC name of 6-dibenzofuran-4-yl-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-(3-dibenzothiophen-3-ylphenyl)carbazole?
The IUPAC name of 6-dibenzofuran-4-yl-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-(3-dibenzothiophen-3-ylphenyl)carbazole (CID 163840544) is 6-dibenzofuran-4-yl-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-(3-dibenzothiophen-3-ylphenyl)carbazole.
What is the SMILES notation for 6-dibenzofuran-4-yl-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-(3-dibenzothiophen-3-ylphenyl)carbazole?
The canonical SMILES for 6-dibenzofuran-4-yl-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-(3-dibenzothiophen-3-ylphenyl)carbazole is c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-n3c4ccc(-c5cccc6c5oc5ccccc56)cc4c4cccc(-c5cccc(-c6ccc7c(c6)sc6ccccc67)c5)c43)n2)cc1.
What is the InChIKey of 6-dibenzofuran-4-yl-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-(3-dibenzothiophen-3-ylphenyl)carbazole?
The InChIKey is OLPJIEQRVLUCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H36N4O2S/c1-2-13-37(14-3-1)61-64-62(42-28-30-47-45-17-4-7-24-54(45)68-56(47)35-42)66-63(65-61)67-53-32-29-41(44-21-12-23-51-46-18-5-8-25-55(46)69-60(44)51)34-52(53)50-22-11-20-43(59(50)67)40-16-10-15-38(33-40)39-27-31-49-48-19-6-9-26-57(48)70-58(49)36-39/h1-36H.
What are the key properties of 6-dibenzofuran-4-yl-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-(3-dibenzothiophen-3-ylphenyl)carbazole?
6-dibenzofuran-4-yl-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-(3-dibenzothiophen-3-ylphenyl)carbazole has a molecular weight of 913.07 g/mol, XLogP of 17.47, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dibenzofuran-4-yl-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-(3-dibenzothiophen-3-ylphenyl)carbazole is sourced from PubChem (CID 163840544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).