2,4-diphenyl-6-[5-phenyl-2-(11-phenyl-11H-fluoreno[3,2-b][1]benzofuran-1-yl)-3-pyridinyl]-1,3,5-triazine

C51H32N4O — CID 168783650

IUPAC2,4-diphenyl-6-[5-phenyl-2-(11-phenyl-11H-fluoreno[3,2-b][1]benzofuran-1-yl)-3-pyridinyl]-1,3,5-triazine
SMILESc1ccc(-c2cnc(-c3cccc4oc5cc6c(cc5c34)C(c3ccccc3)c3ccccc3-6)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C51H32N4O/c1-5-16-32(17-6-1)36-28-43(51-54-49(34-20-9-3-10-21-34)53-50(55-51)35-22-11-4-12-23-35)48(52-31-36)39-26-15-27-44-47(39)42-29-41-40(30-45(42)56-44)37-24-13-14-25-38(37)46(41)33-18-7-2-8-19-33/h1-31,46H
InChIKeyLXTWWPGTQQYNFF-UHFFFAOYSA-N
MW716.84 g/mol
LogP12.66
Rot. Bonds6

About 2,4-diphenyl-6-[5-phenyl-2-(11-phenyl-11H-fluoreno[3,2-b][1]benzofuran-1-yl)-3-pyridinyl]-1,3,5-triazine

2,4-diphenyl-6-[5-phenyl-2-(11-phenyl-11H-fluoreno[3,2-b][1]benzofuran-1-yl)-3-pyridinyl]-1,3,5-triazine (PubChem CID 168783650) has the molecular formula C51H32N4O and a molecular weight of 716.84 g/mol. Its IUPAC name is 2,4-diphenyl-6-[5-phenyl-2-(11-phenyl-11H-fluoreno[3,2-b][1]benzofuran-1-yl)-3-pyridinyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[5-phenyl-2-(11-phenyl-11H-fluoreno[3,2-b][1]benzofuran-1-yl)-3-pyridinyl]-1,3,5-triazine
PubChem CID168783650
Molecular FormulaC51H32N4O
Molecular Weight716.84 g/mol
Exact Mass716.26
IUPAC Name2,4-diphenyl-6-[5-phenyl-2-(11-phenyl-11H-fluoreno[3,2-b][1]benzofuran-1-yl)-3-pyridinyl]-1,3,5-triazine
SMILESc1ccc(-c2cnc(-c3cccc4oc5cc6c(cc5c34)C(c3ccccc3)c3ccccc3-6)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C51H32N4O/c1-5-16-32(17-6-1)36-28-43(51-54-49(34-20-9-3-10-21-34)53-50(55-51)35-22-11-4-12-23-35)48(52-31-36)39-26-15-27-44-47(39)42-29-41-40(30-45(42)56-44)37-24-13-14-25-38(37)46(41)33-18-7-2-8-19-33/h1-31,46H
InChIKeyLXTWWPGTQQYNFF-UHFFFAOYSA-N
XLogP12.66
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.84
LogP ≤ 512.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-dibenzofuran-1-yl-2-phenyl-9H-fluoren-9-yl)-4,6-diphenyl-1,3,5-triazine
CID 169033683
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(11-phenyl-[1]benzofuro[3,2-b]carbazol-1-yl)-2-pyridinyl]-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 153460067
2-[5-(2,5-diphenylphenyl)-2-(12-phenyl-12H-fluoreno[2,1-b][1]benzothiol-1-yl)-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine
CID 166022855
2,4-diphenyl-6-[8-(9-phenyl-9H-fluoren-2-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 171597120
9-phenyl-3-[9-[4-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-6-(9-phenyl-9H-fluoren-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 167377397
1-[2-[2-(9-phenyl-9H-fluoren-3-yl)-9H-fluoren-9-yl]phenyl]dibenzofuran
CID 126753743
2-[2-(12H-fluoreno[2,1-b][1]benzofuran-12-yl)-5-(2-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 167381717
2,4-diphenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 125480081
2,4-diphenyl-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 164797247
2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[8-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 163701763
2,4-diphenyl-6-[9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-1,3,5-triazine
CID 166565518
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

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[5-phenyl-2-(11-phenyl-11H-fluoreno[3,2-b][1]benzofuran-1-yl)-3-pyridinyl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[5-phenyl-2-(11-phenyl-11H-fluoreno[3,2-b][1]benzofuran-1-yl)-3-pyridinyl]-1,3,5-triazine (CID 168783650) is 2,4-diphenyl-6-[5-phenyl-2-(11-phenyl-11H-fluoreno[3,2-b][1]benzofuran-1-yl)-3-pyridinyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[5-phenyl-2-(11-phenyl-11H-fluoreno[3,2-b][1]benzofuran-1-yl)-3-pyridinyl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[5-phenyl-2-(11-phenyl-11H-fluoreno[3,2-b][1]benzofuran-1-yl)-3-pyridinyl]-1,3,5-triazine is c1ccc(-c2cnc(-c3cccc4oc5cc6c(cc5c34)C(c3ccccc3)c3ccccc3-6)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[5-phenyl-2-(11-phenyl-11H-fluoreno[3,2-b][1]benzofuran-1-yl)-3-pyridinyl]-1,3,5-triazine?
The InChIKey is LXTWWPGTQQYNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4O/c1-5-16-32(17-6-1)36-28-43(51-54-49(34-20-9-3-10-21-34)53-50(55-51)35-22-11-4-12-23-35)48(52-31-36)39-26-15-27-44-47(39)42-29-41-40(30-45(42)56-44)37-24-13-14-25-38(37)46(41)33-18-7-2-8-19-33/h1-31,46H.
What are the key properties of 2,4-diphenyl-6-[5-phenyl-2-(11-phenyl-11H-fluoreno[3,2-b][1]benzofuran-1-yl)-3-pyridinyl]-1,3,5-triazine?
2,4-diphenyl-6-[5-phenyl-2-(11-phenyl-11H-fluoreno[3,2-b][1]benzofuran-1-yl)-3-pyridinyl]-1,3,5-triazine has a molecular weight of 716.84 g/mol, XLogP of 12.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[5-phenyl-2-(11-phenyl-11H-fluoreno[3,2-b][1]benzofuran-1-yl)-3-pyridinyl]-1,3,5-triazine is sourced from PubChem (CID 168783650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).