2-[2-(12H-fluoreno[2,1-b][1]benzofuran-12-yl)-5-(2-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine

C52H33N3O — CID 167381717

IUPAC2-[2-(12H-fluoreno[2,1-b][1]benzofuran-12-yl)-5-(2-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccccc4-c4ccccc4)ccc3C3c4ccccc4-c4ccc5oc6ccccc6c5c43)n2)cc1
InChIInChI=1S/C52H33N3O/c1-4-16-33(17-5-1)37-22-10-11-23-38(37)36-28-29-42(44(32-36)52-54-50(34-18-6-2-7-19-34)53-51(55-52)35-20-8-3-9-21-35)47-40-25-13-12-24-39(40)41-30-31-46-48(49(41)47)43-26-14-15-27-45(43)56-46/h1-32,47H
InChIKeyPEXYGEWPXSSUTM-UHFFFAOYSA-N
MW715.86 g/mol
LogP13.27
Rot. Bonds6

About 2-[2-(12H-fluoreno[2,1-b][1]benzofuran-12-yl)-5-(2-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine

2-[2-(12H-fluoreno[2,1-b][1]benzofuran-12-yl)-5-(2-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 167381717) has the molecular formula C52H33N3O and a molecular weight of 715.86 g/mol. Its IUPAC name is 2-[2-(12H-fluoreno[2,1-b][1]benzofuran-12-yl)-5-(2-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[2-(12H-fluoreno[2,1-b][1]benzofuran-12-yl)-5-(2-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID167381717
Molecular FormulaC52H33N3O
Molecular Weight715.86 g/mol
Exact Mass715.26
IUPAC Name2-[2-(12H-fluoreno[2,1-b][1]benzofuran-12-yl)-5-(2-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccccc4-c4ccccc4)ccc3C3c4ccccc4-c4ccc5oc6ccccc6c5c43)n2)cc1
InChIInChI=1S/C52H33N3O/c1-4-16-33(17-5-1)37-22-10-11-23-38(37)36-28-29-42(44(32-36)52-54-50(34-18-6-2-7-19-34)53-51(55-52)35-20-8-3-9-21-35)47-40-25-13-12-24-39(40)41-30-31-46-48(49(41)47)43-26-14-15-27-45(43)56-46/h1-32,47H
InChIKeyPEXYGEWPXSSUTM-UHFFFAOYSA-N
XLogP13.27
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.86
LogP ≤ 513.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-dibenzofuran-1-yl-4-dibenzofuran-2-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171402604
2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164942447
2-(6-dibenzofuran-1-yl-2-phenyl-9H-fluoren-9-yl)-4,6-diphenyl-1,3,5-triazine
CID 169033683
2-(3-dibenzofuran-1-ylphenyl)-4-[11-[4-(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenyl-1,3,5-triazine
CID 165150917
2-dibenzofuran-1-yl-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 177112627
2-phenyl-4-(3-phenylphenyl)-6-[8-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946253
2-[8-(2,5-diphenylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 134199075
2,4-diphenyl-6-[8-[4-phenyl-3-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 134199084
2-[4-[4-(4-dibenzofuran-1-ylphenyl)naphthalen-1-yl]phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 164942372
2-(2-dibenzofuran-1-ylphenyl)-4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenyl-1,3,5-triazine;2-(3-dibenzofuran-1-ylphenyl)-4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenyl-1,3,5-triazine
CID 167556194
2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[8-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 163701763
2-(2-dibenzofuran-2-yl-5-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171402367

Frequently Asked Questions

What is the IUPAC name of 2-[2-(12H-fluoreno[2,1-b][1]benzofuran-12-yl)-5-(2-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[2-(12H-fluoreno[2,1-b][1]benzofuran-12-yl)-5-(2-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine (CID 167381717) is 2-[2-(12H-fluoreno[2,1-b][1]benzofuran-12-yl)-5-(2-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[2-(12H-fluoreno[2,1-b][1]benzofuran-12-yl)-5-(2-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[2-(12H-fluoreno[2,1-b][1]benzofuran-12-yl)-5-(2-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccccc4-c4ccccc4)ccc3C3c4ccccc4-c4ccc5oc6ccccc6c5c43)n2)cc1.
What is the InChIKey of 2-[2-(12H-fluoreno[2,1-b][1]benzofuran-12-yl)-5-(2-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is PEXYGEWPXSSUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N3O/c1-4-16-33(17-5-1)37-22-10-11-23-38(37)36-28-29-42(44(32-36)52-54-50(34-18-6-2-7-19-34)53-51(55-52)35-20-8-3-9-21-35)47-40-25-13-12-24-39(40)41-30-31-46-48(49(41)47)43-26-14-15-27-45(43)56-46/h1-32,47H.
What are the key properties of 2-[2-(12H-fluoreno[2,1-b][1]benzofuran-12-yl)-5-(2-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[2-(12H-fluoreno[2,1-b][1]benzofuran-12-yl)-5-(2-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 715.86 g/mol, XLogP of 13.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(12H-fluoreno[2,1-b][1]benzofuran-12-yl)-5-(2-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 167381717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).