11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-naphtho[2,1-b][1]benzofuran-8-ylbenzo[a]carbazole;ethane

C55H36N4O2 — CID 142571552

IUPAC11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-naphtho[2,1-b][1]benzofuran-8-ylbenzo[a]carbazole;ethane
SMILESCC.c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-n3c4c(-c5cccc6c5oc5ccc7ccccc7c56)cccc4c4ccc5ccccc5c43)n2)cc1
InChIInChI=1S/C53H30N4O2.C2H6/c1-2-14-33(15-3-1)51-54-52(34-25-27-38-37-18-8-9-23-44(37)58-46(38)30-34)56-53(55-51)57-48-36-17-7-5-13-32(36)24-28-41(48)39-19-10-20-40(49(39)57)42-21-11-22-43-47-35-16-6-4-12-31(35)26-29-45(47)59-50(42)43;1-2/h1-30H;1-2H3
InChIKeyHTACFLVFMGSKCQ-UHFFFAOYSA-N
MW784.92 g/mol
LogP15.10
Rot. Bonds4

About 11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-naphtho[2,1-b][1]benzofuran-8-ylbenzo[a]carbazole;ethane

11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-naphtho[2,1-b][1]benzofuran-8-ylbenzo[a]carbazole;ethane (PubChem CID 142571552) has the molecular formula C55H36N4O2 and a molecular weight of 784.92 g/mol. Its IUPAC name is 11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-naphtho[2,1-b][1]benzofuran-8-ylbenzo[a]carbazole;ethane.

Molecular Properties

Compound Name11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-naphtho[2,1-b][1]benzofuran-8-ylbenzo[a]carbazole;ethane
PubChem CID142571552
Molecular FormulaC55H36N4O2
Molecular Weight784.92 g/mol
Exact Mass784.28
IUPAC Name11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-naphtho[2,1-b][1]benzofuran-8-ylbenzo[a]carbazole;ethane
SMILESCC.c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-n3c4c(-c5cccc6c5oc5ccc7ccccc7c56)cccc4c4ccc5ccccc5c43)n2)cc1
InChIInChI=1S/C53H30N4O2.C2H6/c1-2-14-33(15-3-1)51-54-52(34-25-27-38-37-18-8-9-23-44(37)58-46(38)30-34)56-53(55-51)57-48-36-17-7-5-13-32(36)24-28-41(48)39-19-10-20-40(49(39)57)42-21-11-22-43-47-35-16-6-4-12-31(35)26-29-45(47)59-50(42)43;1-2/h1-30H;1-2H3
InChIKeyHTACFLVFMGSKCQ-UHFFFAOYSA-N
XLogP15.10
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.92
LogP ≤ 515.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-naphtho[2,1-b][1]benzofuran-8-ylbenzo[a]carbazole;ethane with MolForge

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Related Compounds

ethane;11-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-naphtho[2,1-b][1]benzofuran-8-ylbenzo[a]carbazole
CID 142570407
5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-naphtho[2,1-b][1]benzofuran-8-ylbenzo[b]carbazole
CID 142569825
11-(4,6-diphenylpyrimidin-2-yl)-10-naphtho[2,1-b][1]benzofuran-8-ylbenzo[a]carbazole
CID 142571640
11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-dibenzothiophen-1-ylbenzo[a]carbazole
CID 142570657
11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-dibenzofuran-2-ylbenzo[a]carbazole;propane
CID 142569985
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-naphtho[2,1-b][1]benzofuran-9-ylcarbazole;ethane
CID 142571694
10-dibenzofuran-1-yl-11-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazole
CID 142569857
4-dibenzofuran-4-yl-5-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[b]carbazole
CID 142570342
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
1-phenyl-12-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 164932839
4-(3-dibenzofuran-4-ylphenyl)-5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole;ethane
CID 142568556
5-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-4-naphtho[2,1-b][1]benzofuran-10-ylbenzo[b]carbazole
CID 142572067

Frequently Asked Questions

What is the IUPAC name of 11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-naphtho[2,1-b][1]benzofuran-8-ylbenzo[a]carbazole;ethane?
The IUPAC name of 11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-naphtho[2,1-b][1]benzofuran-8-ylbenzo[a]carbazole;ethane (CID 142571552) is 11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-naphtho[2,1-b][1]benzofuran-8-ylbenzo[a]carbazole;ethane.
What is the SMILES notation for 11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-naphtho[2,1-b][1]benzofuran-8-ylbenzo[a]carbazole;ethane?
The canonical SMILES for 11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-naphtho[2,1-b][1]benzofuran-8-ylbenzo[a]carbazole;ethane is CC.c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-n3c4c(-c5cccc6c5oc5ccc7ccccc7c56)cccc4c4ccc5ccccc5c43)n2)cc1.
What is the InChIKey of 11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-naphtho[2,1-b][1]benzofuran-8-ylbenzo[a]carbazole;ethane?
The InChIKey is HTACFLVFMGSKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H30N4O2.C2H6/c1-2-14-33(15-3-1)51-54-52(34-25-27-38-37-18-8-9-23-44(37)58-46(38)30-34)56-53(55-51)57-48-36-17-7-5-13-32(36)24-28-41(48)39-19-10-20-40(49(39)57)42-21-11-22-43-47-35-16-6-4-12-31(35)26-29-45(47)59-50(42)43;1-2/h1-30H;1-2H3.
What are the key properties of 11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-naphtho[2,1-b][1]benzofuran-8-ylbenzo[a]carbazole;ethane?
11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-naphtho[2,1-b][1]benzofuran-8-ylbenzo[a]carbazole;ethane has a molecular weight of 784.92 g/mol, XLogP of 15.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-naphtho[2,1-b][1]benzofuran-8-ylbenzo[a]carbazole;ethane is sourced from PubChem (CID 142571552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).