2-dibenzofuran-1-yl-4-(6-fluorodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine

C33H18FN3O2 — CID 156521704

IUPAC2-dibenzofuran-1-yl-4-(6-fluorodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
SMILESFc1cccc2c1oc1cccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccccc6c45)n3)c12
InChIInChI=1S/C33H18FN3O2/c34-24-15-6-12-21-29-23(14-8-18-27(29)39-30(21)24)33-36-31(19-9-2-1-3-10-19)35-32(37-33)22-13-7-17-26-28(22)20-11-4-5-16-25(20)38-26/h1-18H
InChIKeyICGLQSRYXIWVEX-UHFFFAOYSA-N
MW507.52 g/mol
LogP8.81
Rot. Bonds3

About 2-dibenzofuran-1-yl-4-(6-fluorodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine

2-dibenzofuran-1-yl-4-(6-fluorodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine (PubChem CID 156521704) has the molecular formula C33H18FN3O2 and a molecular weight of 507.52 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-(6-fluorodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-(6-fluorodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
PubChem CID156521704
Molecular FormulaC33H18FN3O2
Molecular Weight507.52 g/mol
Exact Mass507.14
IUPAC Name2-dibenzofuran-1-yl-4-(6-fluorodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
SMILESFc1cccc2c1oc1cccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccccc6c45)n3)c12
InChIInChI=1S/C33H18FN3O2/c34-24-15-6-12-21-29-23(14-8-18-27(29)39-30(21)24)33-36-31(19-9-2-1-3-10-19)35-32(37-33)22-13-7-17-26-28(22)20-11-4-5-16-25(20)38-26/h1-18H
InChIKeyICGLQSRYXIWVEX-UHFFFAOYSA-N
XLogP8.81
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.52
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-di(dibenzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138730102
2-phenyl-4-(4-phenyldibenzofuran-1-yl)-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 155477197
2-dibenzofuran-1-yl-4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-8-yl)-6-phenyl-1,3,5-triazine
CID 166848478
2-(2-dibenzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 118507613
2-(6-dibenzofuran-4-yldibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742287
2-dibenzofuran-1-yl-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171607729
2-dibenzofuran-1-yl-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741540
2-(6-dibenzofuran-4-yldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 166952291
2-dibenzofuran-2-yl-4-(6-dibenzofuran-1-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742839
4-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 146952352
2-(6-naphtho[1,2-b][1]benzofuran-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741050
2-dibenzofuran-1-yl-4-phenyl-6-[5-(9-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 168731902

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-(6-fluorodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-(6-fluorodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine (CID 156521704) is 2-dibenzofuran-1-yl-4-(6-fluorodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-(6-fluorodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-(6-fluorodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine is Fc1cccc2c1oc1cccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccccc6c45)n3)c12.
What is the InChIKey of 2-dibenzofuran-1-yl-4-(6-fluorodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is ICGLQSRYXIWVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H18FN3O2/c34-24-15-6-12-21-29-23(14-8-18-27(29)39-30(21)24)33-36-31(19-9-2-1-3-10-19)35-32(37-33)22-13-7-17-26-28(22)20-11-4-5-16-25(20)38-26/h1-18H.
What are the key properties of 2-dibenzofuran-1-yl-4-(6-fluorodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
2-dibenzofuran-1-yl-4-(6-fluorodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 507.52 g/mol, XLogP of 8.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-4-(6-fluorodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 156521704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).