9-[2-[4-(1-carbazol-9-yl-4-fluorodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorodibenzofuran-1-yl]carbazole

C57H31F2N5O2 — CID 148948409

IUPAC9-[2-[4-(1-carbazol-9-yl-4-fluorodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorodibenzofuran-1-yl]carbazole
SMILESFc1cc(-c2nc(-c3ccccc3)nc(-c3cc(F)c4oc5ccccc5c4c3-n3c4ccccc4c4ccccc43)n2)c(-n2c3ccccc3c3ccccc32)c2c1oc1ccccc12
InChIInChI=1S/C57H31F2N5O2/c58-41-30-39(51(49-37-22-8-14-28-47(37)65-53(41)49)63-43-24-10-4-18-33(43)34-19-5-11-25-44(34)63)56-60-55(32-16-2-1-3-17-32)61-57(62-56)40-31-42(59)54-50(38-23-9-15-29-48(38)66-54)52(40)64-45-26-12-6-20-35(45)36-21-7-13-27-46(36)64/h1-31H
InChIKeyPPJSRHTUSHYDDE-UHFFFAOYSA-N
MW855.90 g/mol
LogP15.14
Rot. Bonds5

About 9-[2-[4-(1-carbazol-9-yl-4-fluorodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorodibenzofuran-1-yl]carbazole

9-[2-[4-(1-carbazol-9-yl-4-fluorodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorodibenzofuran-1-yl]carbazole (PubChem CID 148948409) has the molecular formula C57H31F2N5O2 and a molecular weight of 855.90 g/mol. Its IUPAC name is 9-[2-[4-(1-carbazol-9-yl-4-fluorodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorodibenzofuran-1-yl]carbazole.

Molecular Properties

Compound Name9-[2-[4-(1-carbazol-9-yl-4-fluorodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorodibenzofuran-1-yl]carbazole
PubChem CID148948409
Molecular FormulaC57H31F2N5O2
Molecular Weight855.90 g/mol
Exact Mass855.24
IUPAC Name9-[2-[4-(1-carbazol-9-yl-4-fluorodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorodibenzofuran-1-yl]carbazole
SMILESFc1cc(-c2nc(-c3ccccc3)nc(-c3cc(F)c4oc5ccccc5c4c3-n3c4ccccc4c4ccccc43)n2)c(-n2c3ccccc3c3ccccc32)c2c1oc1ccccc12
InChIInChI=1S/C57H31F2N5O2/c58-41-30-39(51(49-37-22-8-14-28-47(37)65-53(41)49)63-43-24-10-4-18-33(43)34-19-5-11-25-44(34)63)56-60-55(32-16-2-1-3-17-32)61-57(62-56)40-31-42(59)54-50(38-23-9-15-29-48(38)66-54)52(40)64-45-26-12-6-20-35(45)36-21-7-13-27-46(36)64/h1-31H
InChIKeyPPJSRHTUSHYDDE-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-[1-carbazol-9-yl-3-[4-[1,2-di(carbazol-9-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 153300099
9-[2-[4-(1-carbazol-9-yl-4-fluorodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorodibenzofuran-1-yl]carbazole;9-[2-[4-(1-carbazol-9-yl-4-fluorodibenzothiophen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorodibenzothiophen-1-yl]carbazole;9-[4-[4-(3-carbazol-9-yl-1-fluorodibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-1-fluorodibenzothiophen-3-yl]carbazole
CID 158627039
9-[1-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-fluorodibenzofuran-4-yl]carbazole
CID 147710919
6-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 171730151
9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 164821821
12-(2,6-diphenylpyrimidin-4-yl)-6-phenyl-[1]benzofuro[3,2-a]carbazole
CID 138649917
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)dibenzofuran-2-carbonitrile
CID 155159425
21-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 164847930
9-[4-phenyl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazin-2-yl]carbazole
CID 176854040
9-[4-(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 160515584
9-[4-(9-dibenzofuran-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358093
4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 163746946

Frequently Asked Questions

What is the IUPAC name of 9-[2-[4-(1-carbazol-9-yl-4-fluorodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorodibenzofuran-1-yl]carbazole?
The IUPAC name of 9-[2-[4-(1-carbazol-9-yl-4-fluorodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorodibenzofuran-1-yl]carbazole (CID 148948409) is 9-[2-[4-(1-carbazol-9-yl-4-fluorodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorodibenzofuran-1-yl]carbazole.
What is the SMILES notation for 9-[2-[4-(1-carbazol-9-yl-4-fluorodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorodibenzofuran-1-yl]carbazole?
The canonical SMILES for 9-[2-[4-(1-carbazol-9-yl-4-fluorodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorodibenzofuran-1-yl]carbazole is Fc1cc(-c2nc(-c3ccccc3)nc(-c3cc(F)c4oc5ccccc5c4c3-n3c4ccccc4c4ccccc43)n2)c(-n2c3ccccc3c3ccccc32)c2c1oc1ccccc12.
What is the InChIKey of 9-[2-[4-(1-carbazol-9-yl-4-fluorodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorodibenzofuran-1-yl]carbazole?
The InChIKey is PPJSRHTUSHYDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H31F2N5O2/c58-41-30-39(51(49-37-22-8-14-28-47(37)65-53(41)49)63-43-24-10-4-18-33(43)34-19-5-11-25-44(34)63)56-60-55(32-16-2-1-3-17-32)61-57(62-56)40-31-42(59)54-50(38-23-9-15-29-48(38)66-54)52(40)64-45-26-12-6-20-35(45)36-21-7-13-27-46(36)64/h1-31H.
What are the key properties of 9-[2-[4-(1-carbazol-9-yl-4-fluorodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorodibenzofuran-1-yl]carbazole?
9-[2-[4-(1-carbazol-9-yl-4-fluorodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorodibenzofuran-1-yl]carbazole 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 9-[2-[4-(1-carbazol-9-yl-4-fluorodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorodibenzofuran-1-yl]carbazole is sourced from PubChem (CID 148948409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).