9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-phenylcarbazole;ethane

C66H48N4O — CID 142571417

IUPAC9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-phenylcarbazole;ethane
SMILESCC.CC1(C)c2cc(-c3cccc4c5cc(-c6ccccc6)ccc5n(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccc8c(c7)oc7ccccc78)n6)c5)c34)ccc2-c2c1ccc1ccccc21
InChIInChI=1S/C64H42N4O.C2H6/c1-64(2)54-33-29-40-17-9-10-22-47(40)59(54)52-32-27-43(37-55(52)64)48-24-14-25-51-53-36-42(39-15-5-3-6-16-39)30-34-56(53)68(60(48)51)46-21-13-20-44(35-46)62-65-61(41-18-7-4-8-19-41)66-63(67-62)45-28-31-50-49-23-11-12-26-57(49)69-58(50)38-45;1-2/h3-38H,1-2H3;1-2H3
InChIKeyFYGOEZAIVOBUCU-UHFFFAOYSA-N
MW913.14 g/mol
LogP17.69
Rot. Bonds6

About 9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-phenylcarbazole;ethane

9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-phenylcarbazole;ethane (PubChem CID 142571417) has the molecular formula C66H48N4O and a molecular weight of 913.14 g/mol. Its IUPAC name is 9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-phenylcarbazole;ethane.

Molecular Properties

Compound Name9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-phenylcarbazole;ethane
PubChem CID142571417
Molecular FormulaC66H48N4O
Molecular Weight913.14 g/mol
Exact Mass912.38
IUPAC Name9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-phenylcarbazole;ethane
SMILESCC.CC1(C)c2cc(-c3cccc4c5cc(-c6ccccc6)ccc5n(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccc8c(c7)oc7ccccc78)n6)c5)c34)ccc2-c2c1ccc1ccccc21
InChIInChI=1S/C64H42N4O.C2H6/c1-64(2)54-33-29-40-17-9-10-22-47(40)59(54)52-32-27-43(37-55(52)64)48-24-14-25-51-53-36-42(39-15-5-3-6-16-39)30-34-56(53)68(60(48)51)46-21-13-20-44(35-46)62-65-61(41-18-7-4-8-19-41)66-63(67-62)45-28-31-50-49-23-11-12-26-57(49)69-58(50)38-45;1-2/h3-38H,1-2H3;1-2H3
InChIKeyFYGOEZAIVOBUCU-UHFFFAOYSA-N
XLogP17.69
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500913.14
LogP ≤ 517.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-phenylcarbazole
CID 142571981
1-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-phenyl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 142569637
9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-naphtho[2,1-b][1]benzofuran-9-yl-6-phenylcarbazole
CID 142570054
8-(7,7-dimethylbenzo[g]fluoren-9-yl)-7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole
CID 142571634
9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(9,9-dimethylfluoren-3-yl)phenyl]carbazole
CID 142568449
6-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-1,9-diphenylcarbazole
CID 155201239
9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(9,9-dimethylfluoren-3-yl)phenyl]-3-phenylcarbazole;ethane
CID 142569133
5-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4-[3-(9,9-dimethylfluoren-3-yl)phenyl]benzo[b]carbazole
CID 142569233
21-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-19-(7,7-dimethylbenzo[g]fluoren-9-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 142572138
1-dibenzofuran-3-yl-9-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]carbazole
CID 130355704
6-carbazol-9-yl-1-(3-dibenzofuran-2-ylphenyl)-9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 142568463
6-carbazol-9-yl-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]carbazole
CID 142569574

Frequently Asked Questions

What is the IUPAC name of 9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-phenylcarbazole;ethane?
The IUPAC name of 9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-phenylcarbazole;ethane (CID 142571417) is 9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-phenylcarbazole;ethane.
What is the SMILES notation for 9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-phenylcarbazole;ethane?
The canonical SMILES for 9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-phenylcarbazole;ethane is CC.CC1(C)c2cc(-c3cccc4c5cc(-c6ccccc6)ccc5n(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccc8c(c7)oc7ccccc78)n6)c5)c34)ccc2-c2c1ccc1ccccc21.
What is the InChIKey of 9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-phenylcarbazole;ethane?
The InChIKey is FYGOEZAIVOBUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N4O.C2H6/c1-64(2)54-33-29-40-17-9-10-22-47(40)59(54)52-32-27-43(37-55(52)64)48-24-14-25-51-53-36-42(39-15-5-3-6-16-39)30-34-56(53)68(60(48)51)46-21-13-20-44(35-46)62-65-61(41-18-7-4-8-19-41)66-63(67-62)45-28-31-50-49-23-11-12-26-57(49)69-58(50)38-45;1-2/h3-38H,1-2H3;1-2H3.
What are the key properties of 9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-phenylcarbazole;ethane?
9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-phenylcarbazole;ethane has a molecular weight of 913.14 g/mol, XLogP of 17.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-phenylcarbazole;ethane is sourced from PubChem (CID 142571417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).