2-dibenzofuran-2-yl-4-(7-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine

C45H29N3O2 — CID 167029928

IUPAC2-dibenzofuran-2-yl-4-(7-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(-c2cccc(C3=NC(c4cccc5oc6cc(-c7ccccc7)ccc6c45)N=C(c4ccc5oc6ccccc6c5c4)N3)c2)cc1
InChIInChI=1S/C45H29N3O2/c1-3-11-28(12-4-1)30-15-9-16-32(25-30)43-46-44(33-22-24-39-37(26-33)34-17-7-8-19-38(34)49-39)48-45(47-43)36-18-10-20-40-42(36)35-23-21-31(27-41(35)50-40)29-13-5-2-6-14-29/h1-27,45H,(H,46,47,48)
InChIKeyALSUVESYZXUWEI-UHFFFAOYSA-N
MW643.75 g/mol
LogP11.31
Rot. Bonds5

About 2-dibenzofuran-2-yl-4-(7-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine

2-dibenzofuran-2-yl-4-(7-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine (PubChem CID 167029928) has the molecular formula C45H29N3O2 and a molecular weight of 643.75 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-4-(7-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-4-(7-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
PubChem CID167029928
Molecular FormulaC45H29N3O2
Molecular Weight643.75 g/mol
Exact Mass643.23
IUPAC Name2-dibenzofuran-2-yl-4-(7-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(-c2cccc(C3=NC(c4cccc5oc6cc(-c7ccccc7)ccc6c45)N=C(c4ccc5oc6ccccc6c5c4)N3)c2)cc1
InChIInChI=1S/C45H29N3O2/c1-3-11-28(12-4-1)30-15-9-16-32(25-30)43-46-44(33-22-24-39-37(26-33)34-17-7-8-19-38(34)49-39)48-45(47-43)36-18-10-20-40-42(36)35-23-21-31(27-41(35)50-40)29-13-5-2-6-14-29/h1-27,45H,(H,46,47,48)
InChIKeyALSUVESYZXUWEI-UHFFFAOYSA-N
XLogP11.31
TPSA63.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.75
LogP ≤ 511.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170248098
2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 167030467
2,6-bis(4-phenylphenyl)-4-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030009
2-dibenzofuran-4-yl-6-phenyl-4-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030484
2-naphthalen-1-yl-6-phenyl-4-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030014
4-(7-naphthalen-2-yldibenzofuran-1-yl)-2-phenanthren-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 167029289
4-(8-naphthalen-2-yldibenzofuran-1-yl)-2-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine
CID 167029970
2-dibenzofuran-1-yl-6-phenyl-4-[4-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030326
4-(7-naphthalen-2-yldibenzofuran-1-yl)-2-phenanthren-9-yl-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 167029303
4-dibenzofuran-3-yl-2-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 170249363
2-dibenzofuran-3-yl-6-phenyl-4-(7-triphenylen-2-yldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
CID 166961195
2-dibenzofuran-4-yl-4-(8-phenanthren-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 167029735

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-4-(7-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-2-yl-4-(7-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine (CID 167029928) is 2-dibenzofuran-2-yl-4-(7-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-2-yl-4-(7-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-2-yl-4-(7-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine is c1ccc(-c2cccc(C3=NC(c4cccc5oc6cc(-c7ccccc7)ccc6c45)N=C(c4ccc5oc6ccccc6c5c4)N3)c2)cc1.
What is the InChIKey of 2-dibenzofuran-2-yl-4-(7-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine?
The InChIKey is ALSUVESYZXUWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N3O2/c1-3-11-28(12-4-1)30-15-9-16-32(25-30)43-46-44(33-22-24-39-37(26-33)34-17-7-8-19-38(34)49-39)48-45(47-43)36-18-10-20-40-42(36)35-23-21-31(27-41(35)50-40)29-13-5-2-6-14-29/h1-27,45H,(H,46,47,48).
What are the key properties of 2-dibenzofuran-2-yl-4-(7-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine?
2-dibenzofuran-2-yl-4-(7-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine has a molecular weight of 643.75 g/mol, XLogP of 11.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-4-(7-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 167029928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).