7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-8-(9,9-dimethylfluoren-2-yl)benzo[c]carbazole

C58H36N4O2 — CID 142570942

IUPAC7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-8-(9,9-dimethylfluoren-2-yl)benzo[c]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc4c5c6ccccc6ccc5n(-c5nc(-c6ccc7c(c6)oc6ccccc67)nc(-c6ccc7c(c6)oc6ccccc67)n5)c34)cc21
InChIInChI=1S/C58H36N4O2/c1-58(2)46-19-8-5-14-39(46)40-26-22-34(30-47(40)58)38-17-11-18-45-53-37-13-4-3-12-33(37)25-29-48(53)62(54(38)45)57-60-55(35-23-27-43-41-15-6-9-20-49(41)63-51(43)31-35)59-56(61-57)36-24-28-44-42-16-7-10-21-50(42)64-52(44)32-36/h3-32H,1-2H3
InChIKeyCLXRIVMTVSDCQH-UHFFFAOYSA-N
MW820.95 g/mol
LogP15.23
Rot. Bonds4

About 7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-8-(9,9-dimethylfluoren-2-yl)benzo[c]carbazole

7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-8-(9,9-dimethylfluoren-2-yl)benzo[c]carbazole (PubChem CID 142570942) has the molecular formula C58H36N4O2 and a molecular weight of 820.95 g/mol. Its IUPAC name is 7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-8-(9,9-dimethylfluoren-2-yl)benzo[c]carbazole.

Molecular Properties

Compound Name7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-8-(9,9-dimethylfluoren-2-yl)benzo[c]carbazole
PubChem CID142570942
Molecular FormulaC58H36N4O2
Molecular Weight820.95 g/mol
Exact Mass820.28
IUPAC Name7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-8-(9,9-dimethylfluoren-2-yl)benzo[c]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc4c5c6ccccc6ccc5n(-c5nc(-c6ccc7c(c6)oc6ccccc67)nc(-c6ccc7c(c6)oc6ccccc67)n5)c34)cc21
InChIInChI=1S/C58H36N4O2/c1-58(2)46-19-8-5-14-39(46)40-26-22-34(30-47(40)58)38-17-11-18-45-53-37-13-4-3-12-33(37)25-29-48(53)62(54(38)45)57-60-55(35-23-27-43-41-15-6-9-20-49(41)63-51(43)31-35)59-56(61-57)36-24-28-44-42-16-7-10-21-50(42)64-52(44)32-36/h3-32H,1-2H3
InChIKeyCLXRIVMTVSDCQH-UHFFFAOYSA-N
XLogP15.23
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.95
LogP ≤ 515.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-8-(7,7-dimethylbenzo[c]fluoren-10-yl)benzo[c]carbazole
CID 163654534
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
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
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
11-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-10-(9,9-dimethylfluoren-3-yl)benzo[a]carbazole
CID 142572212
8-dibenzofuran-3-yl-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole
CID 142570283
2-dibenzofuran-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3,5-triazine
CID 176587483
8-(9,9-dimethylfluoren-3-yl)-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole;ethane
CID 142570369
5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-(9,9-dimethylfluoren-3-yl)benzo[b]carbazole
CID 142570978
8-dibenzofuran-2-yl-7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 142571784
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

Frequently Asked Questions

What is the IUPAC name of 7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-8-(9,9-dimethylfluoren-2-yl)benzo[c]carbazole?
The IUPAC name of 7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-8-(9,9-dimethylfluoren-2-yl)benzo[c]carbazole (CID 142570942) is 7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-8-(9,9-dimethylfluoren-2-yl)benzo[c]carbazole.
What is the SMILES notation for 7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-8-(9,9-dimethylfluoren-2-yl)benzo[c]carbazole?
The canonical SMILES for 7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-8-(9,9-dimethylfluoren-2-yl)benzo[c]carbazole is CC1(C)c2ccccc2-c2ccc(-c3cccc4c5c6ccccc6ccc5n(-c5nc(-c6ccc7c(c6)oc6ccccc67)nc(-c6ccc7c(c6)oc6ccccc67)n5)c34)cc21.
What is the InChIKey of 7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-8-(9,9-dimethylfluoren-2-yl)benzo[c]carbazole?
The InChIKey is CLXRIVMTVSDCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N4O2/c1-58(2)46-19-8-5-14-39(46)40-26-22-34(30-47(40)58)38-17-11-18-45-53-37-13-4-3-12-33(37)25-29-48(53)62(54(38)45)57-60-55(35-23-27-43-41-15-6-9-20-49(41)63-51(43)31-35)59-56(61-57)36-24-28-44-42-16-7-10-21-50(42)64-52(44)32-36/h3-32H,1-2H3.
What are the key properties of 7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-8-(9,9-dimethylfluoren-2-yl)benzo[c]carbazole?
7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-8-(9,9-dimethylfluoren-2-yl)benzo[c]carbazole has a molecular weight of 820.95 g/mol, XLogP of 15.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-8-(9,9-dimethylfluoren-2-yl)benzo[c]carbazole is sourced from PubChem (CID 142570942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).