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

C40H27N3O — CID 174326836

IUPAC2-(11H-fluoreno[3,2-b][1]benzofuran-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(-c2ccc(C3=NC(c4ccccc4)N=C(c4ccc5oc6cc7c(cc6c5c4)Cc4ccccc4-7)N3)cc2)cc1
InChIInChI=1S/C40H27N3O/c1-3-9-25(10-4-1)26-15-17-28(18-16-26)39-41-38(27-11-5-2-6-12-27)42-40(43-39)30-19-20-36-34(22-30)35-23-31-21-29-13-7-8-14-32(29)33(31)24-37(35)44-36/h1-20,22-24,38H,21H2,(H,41,42,43)
InChIKeyNACNZCUSQDRWDY-UHFFFAOYSA-N
MW565.68 g/mol
LogP9.32
Rot. Bonds4

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

2-(11H-fluoreno[3,2-b][1]benzofuran-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine (PubChem CID 174326836) has the molecular formula C40H27N3O and a molecular weight of 565.68 g/mol. Its IUPAC name is 2-(11H-fluoreno[3,2-b][1]benzofuran-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-(11H-fluoreno[3,2-b][1]benzofuran-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
PubChem CID174326836
Molecular FormulaC40H27N3O
Molecular Weight565.68 g/mol
Exact Mass565.22
IUPAC Name2-(11H-fluoreno[3,2-b][1]benzofuran-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(-c2ccc(C3=NC(c4ccccc4)N=C(c4ccc5oc6cc7c(cc6c5c4)Cc4ccccc4-7)N3)cc2)cc1
InChIInChI=1S/C40H27N3O/c1-3-9-25(10-4-1)26-15-17-28(18-16-26)39-41-38(27-11-5-2-6-12-27)42-40(43-39)30-19-20-36-34(22-30)35-23-31-21-29-13-7-8-14-32(29)33(31)24-37(35)44-36/h1-20,22-24,38H,21H2,(H,41,42,43)
InChIKeyNACNZCUSQDRWDY-UHFFFAOYSA-N
XLogP9.32
TPSA49.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.68
LogP ≤ 59.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 167200648
4-dibenzofuran-3-yl-2-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 170249363
2-[8-[4-(9H-fluoren-3-yl)phenyl]dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 171597292
2,4-diphenyl-6-[1-(4-phenylphenyl)dibenzofuran-3-yl]-1,4-dihydro-1,3,5-triazine
CID 163827341
2-naphtho[2,1-b][1]benzofuran-9-yl-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 156549192
2-(7-chlorodibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 167030218
2-(9-naphthalen-1-yldibenzofuran-3-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 166961458
2,10-bis(3-phenylphenyl)-7H-fluoreno[2,3-b][1]benzofuran
CID 129231087
2,4-diphenyl-6-[8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine;hydroiodide
CID 156734683
2-dibenzofuran-3-yl-6-phenyl-4-(7-triphenylen-2-yldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
CID 166961195
2-phenyl-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 170246810
4-dibenzofuran-3-yl-2-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
CID 166961082

Frequently Asked Questions

What is the IUPAC name of 2-(11H-fluoreno[3,2-b][1]benzofuran-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 2-(11H-fluoreno[3,2-b][1]benzofuran-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine (CID 174326836) is 2-(11H-fluoreno[3,2-b][1]benzofuran-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-(11H-fluoreno[3,2-b][1]benzofuran-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2-(11H-fluoreno[3,2-b][1]benzofuran-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine is c1ccc(-c2ccc(C3=NC(c4ccccc4)N=C(c4ccc5oc6cc7c(cc6c5c4)Cc4ccccc4-7)N3)cc2)cc1.
What is the InChIKey of 2-(11H-fluoreno[3,2-b][1]benzofuran-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine?
The InChIKey is NACNZCUSQDRWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27N3O/c1-3-9-25(10-4-1)26-15-17-28(18-16-26)39-41-38(27-11-5-2-6-12-27)42-40(43-39)30-19-20-36-34(22-30)35-23-31-21-29-13-7-8-14-32(29)33(31)24-37(35)44-36/h1-20,22-24,38H,21H2,(H,41,42,43).
What are the key properties of 2-(11H-fluoreno[3,2-b][1]benzofuran-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine?
2-(11H-fluoreno[3,2-b][1]benzofuran-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine has a molecular weight of 565.68 g/mol, XLogP of 9.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(11H-fluoreno[3,2-b][1]benzofuran-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 174326836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).