5-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-4-naphtho[2,1-b][1]benzofuran-10-ylbenzo[b]carbazole

C59H32N4O3 — CID 142572067

IUPAC5-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-4-naphtho[2,1-b][1]benzofuran-10-ylbenzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1cccc(-c2ccc4oc5ccc6ccccc6c5c4c2)c1n3-c1nc(-c2ccc3c(c2)oc2ccccc23)nc(-c2ccc3c(c2)oc2ccccc23)n1
InChIInChI=1S/C59H32N4O3/c1-2-12-35-30-48-46(28-34(35)11-1)45-17-9-16-40(36-23-26-51-47(29-36)55-39-13-4-3-10-33(39)22-27-52(55)64-51)56(45)63(48)59-61-57(37-20-24-43-41-14-5-7-18-49(41)65-53(43)31-37)60-58(62-59)38-21-25-44-42-15-6-8-19-50(42)66-54(44)32-38/h1-32H
InChIKeyZKYLRBFLCNKNCX-UHFFFAOYSA-N
MW844.93 g/mol
LogP15.97
Rot. Bonds4

About 5-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-4-naphtho[2,1-b][1]benzofuran-10-ylbenzo[b]carbazole

5-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-4-naphtho[2,1-b][1]benzofuran-10-ylbenzo[b]carbazole (PubChem CID 142572067) has the molecular formula C59H32N4O3 and a molecular weight of 844.93 g/mol. Its IUPAC name is 5-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-4-naphtho[2,1-b][1]benzofuran-10-ylbenzo[b]carbazole.

Molecular Properties

Compound Name5-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-4-naphtho[2,1-b][1]benzofuran-10-ylbenzo[b]carbazole
PubChem CID142572067
Molecular FormulaC59H32N4O3
Molecular Weight844.93 g/mol
Exact Mass844.25
IUPAC Name5-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-4-naphtho[2,1-b][1]benzofuran-10-ylbenzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1cccc(-c2ccc4oc5ccc6ccccc6c5c4c2)c1n3-c1nc(-c2ccc3c(c2)oc2ccccc23)nc(-c2ccc3c(c2)oc2ccccc23)n1
InChIInChI=1S/C59H32N4O3/c1-2-12-35-30-48-46(28-34(35)11-1)45-17-9-16-40(36-23-26-51-47(29-36)55-39-13-4-3-10-33(39)22-27-52(55)64-51)56(45)63(48)59-61-57(37-20-24-43-41-14-5-7-18-49(41)65-53(43)31-37)60-58(62-59)38-21-25-44-42-15-6-8-19-50(42)66-54(44)32-38/h1-32H
InChIKeyZKYLRBFLCNKNCX-UHFFFAOYSA-N
XLogP15.97
TPSA83.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500844.93
LogP ≤ 515.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-4-naphtho[2,1-b][1]benzofuran-10-ylbenzo[b]carbazole with MolForge

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Related Compounds

ethane;4-naphtho[2,1-b][1]benzofuran-10-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole
CID 142570080
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-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[c]carbazole;propane
CID 142569627
8-dibenzofuran-2-yl-7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 142570296
4-dibenzofuran-2-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole
CID 142571859
4-dibenzofuran-4-yl-5-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[b]carbazole
CID 142570342
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-naphtho[2,1-b][1]benzofuran-9-ylcarbazole;ethane
CID 142571694
8-dibenzofuran-2-yl-7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 142571784
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
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-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-4-naphtho[2,1-b][1]benzothiol-8-ylbenzo[b]carbazole;ethane
CID 142570393
4-dibenzofuran-2-yl-5-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole;propane
CID 142570608

Frequently Asked Questions

What is the IUPAC name of 5-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-4-naphtho[2,1-b][1]benzofuran-10-ylbenzo[b]carbazole?
The IUPAC name of 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) is 5-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-4-naphtho[2,1-b][1]benzofuran-10-ylbenzo[b]carbazole.
What is the SMILES notation for 5-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-4-naphtho[2,1-b][1]benzofuran-10-ylbenzo[b]carbazole?
The canonical SMILES for 5-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-4-naphtho[2,1-b][1]benzofuran-10-ylbenzo[b]carbazole is c1ccc2cc3c(cc2c1)c1cccc(-c2ccc4oc5ccc6ccccc6c5c4c2)c1n3-c1nc(-c2ccc3c(c2)oc2ccccc23)nc(-c2ccc3c(c2)oc2ccccc23)n1.
What is the InChIKey of 5-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-4-naphtho[2,1-b][1]benzofuran-10-ylbenzo[b]carbazole?
The InChIKey is ZKYLRBFLCNKNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H32N4O3/c1-2-12-35-30-48-46(28-34(35)11-1)45-17-9-16-40(36-23-26-51-47(29-36)55-39-13-4-3-10-33(39)22-27-52(55)64-51)56(45)63(48)59-61-57(37-20-24-43-41-14-5-7-18-49(41)65-53(43)31-37)60-58(62-59)38-21-25-44-42-15-6-8-19-50(42)66-54(44)32-38/h1-32H.
What are the key properties of 5-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-4-naphtho[2,1-b][1]benzofuran-10-ylbenzo[b]carbazole?
5-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-4-naphtho[2,1-b][1]benzofuran-10-ylbenzo[b]carbazole has a molecular weight of 844.93 g/mol, XLogP of 15.97, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-4-naphtho[2,1-b][1]benzofuran-10-ylbenzo[b]carbazole is sourced from PubChem (CID 142572067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).