4-[9-[4,6-bis(8-fluorodibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole

C57H31F2N5O2 — CID 134590941

IUPAC4-[9-[4,6-bis(8-fluorodibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole
SMILESFc1ccc2oc3ccc(-c4nc(-c5ccc6oc7ccc(F)cc7c6c5)nc(-n5c6ccccc6c6cc(-c7cccc8c7c7ccccc7n8-c7ccccc7)ccc65)n4)cc3c2c1
InChIInChI=1S/C57H31F2N5O2/c58-35-20-25-52-44(30-35)42-28-33(18-23-50(42)65-52)55-60-56(34-19-24-51-43(29-34)45-31-36(59)21-26-53(45)66-51)62-57(61-55)64-46-14-6-4-11-39(46)41-27-32(17-22-48(41)64)38-13-8-16-49-54(38)40-12-5-7-15-47(40)63(49)37-9-2-1-3-10-37/h1-31H
InChIKeyGEKCWTFYDJGYFX-UHFFFAOYSA-N
MW855.90 g/mol
LogP15.14
Rot. Bonds5

About 4-[9-[4,6-bis(8-fluorodibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole

4-[9-[4,6-bis(8-fluorodibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole (PubChem CID 134590941) has the molecular formula C57H31F2N5O2 and a molecular weight of 855.90 g/mol. Its IUPAC name is 4-[9-[4,6-bis(8-fluorodibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name4-[9-[4,6-bis(8-fluorodibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole
PubChem CID134590941
Molecular FormulaC57H31F2N5O2
Molecular Weight855.90 g/mol
Exact Mass855.24
IUPAC Name4-[9-[4,6-bis(8-fluorodibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole
SMILESFc1ccc2oc3ccc(-c4nc(-c5ccc6oc7ccc(F)cc7c6c5)nc(-n5c6ccccc6c6cc(-c7cccc8c7c7ccccc7n8-c7ccccc7)ccc65)n4)cc3c2c1
InChIInChI=1S/C57H31F2N5O2/c58-35-20-25-52-44(30-35)42-28-33(18-23-50(42)65-52)55-60-56(34-19-24-51-43(29-34)45-31-36(59)21-26-53(45)66-51)62-57(61-55)64-46-14-6-4-11-39(46)41-27-32(17-22-48(41)64)38-13-8-16-49-54(38)40-12-5-7-15-47(40)63(49)37-9-2-1-3-10-37/h1-31H
InChIKeyGEKCWTFYDJGYFX-UHFFFAOYSA-N
XLogP15.14
TPSA74.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.90
LogP ≤ 515.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

9-(8-Fluorodibenzofuran-2-yl)-3-[9-(8-fluorodibenzofuran-2-yl)carbazol-3-yl]carbazole
CID 58511053
3-Dibenzofuran-2-yl-12-[4-(4-fluorophenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 67701944
3-[9-Dibenzofuran-2-yl-6-(6-fluoro-9-phenylcarbazol-3-yl)carbazol-3-yl]-6-fluoro-9-phenylcarbazole
CID 68112373
7-(4-Dibenzofuran-4-ylquinazolin-2-yl)-10-fluorobenzo[c]carbazole
CID 71109047
12-[4-(4-Dibenzofuran-4-ylphenyl)quinazolin-2-yl]-5-(4-fluorophenyl)indolo[3,2-c]carbazole
CID 71291224
9-[8-(6-Carbazol-9-yl-2-pyridinyl)dibenzofuran-2-yl]-3,6-difluorocarbazole
CID 89433789
9-[6-(8-Carbazol-9-yldibenzofuran-2-yl)-2-pyridinyl]-3,6-difluorocarbazole
CID 89433790
7-[4-[4-(4-Fluorophenyl)-6-phenylpyrimidin-2-yl]phenyl]-10-naphtho[2,1-b][1]benzofuran-5-ylbenzo[c]carbazole
CID 89590550
4-[4-[4-(7-Fluorodibenzofuran-2-yl)phenyl]phenyl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 89991446
4-[3,5-Di(dibenzofuran-2-yl)phenyl]-6-(4-fluorophenyl)-2-phenylpyrimidine
CID 89991528
2-[3,5-Di(dibenzofuran-2-yl)phenyl]-4-(4-fluorophenyl)-6-phenylpyrimidine
CID 89991721
2-[3,5-Di(dibenzofuran-4-yl)phenyl]-4-(4-fluorophenyl)-6-phenylpyrimidine
CID 89991820

Frequently Asked Questions

What is the IUPAC name of 4-[9-[4,6-bis(8-fluorodibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 4-[9-[4,6-bis(8-fluorodibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole (CID 134590941) is 4-[9-[4,6-bis(8-fluorodibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 4-[9-[4,6-bis(8-fluorodibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 4-[9-[4,6-bis(8-fluorodibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole is Fc1ccc2oc3ccc(-c4nc(-c5ccc6oc7ccc(F)cc7c6c5)nc(-n5c6ccccc6c6cc(-c7cccc8c7c7ccccc7n8-c7ccccc7)ccc65)n4)cc3c2c1.
What is the InChIKey of 4-[9-[4,6-bis(8-fluorodibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is GEKCWTFYDJGYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H31F2N5O2/c58-35-20-25-52-44(30-35)42-28-33(18-23-50(42)65-52)55-60-56(34-19-24-51-43(29-34)45-31-36(59)21-26-53(45)66-51)62-57(61-55)64-46-14-6-4-11-39(46)41-27-32(17-22-48(41)64)38-13-8-16-49-54(38)40-12-5-7-15-47(40)63(49)37-9-2-1-3-10-37/h1-31H.
What are the key properties of 4-[9-[4,6-bis(8-fluorodibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole?
4-[9-[4,6-bis(8-fluorodibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 855.90 g/mol, XLogP of 15.14, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-[4,6-bis(8-fluorodibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 134590941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).