4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine

C45H29N3O2 — CID 170248098

IUPAC4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3cccc4oc5ccc(-c6ccc7oc8ccccc8c7c6)cc5c34)N=C(c3ccc(-c4ccccc4)cc3)N2)cc1
InChIInChI=1S/C45H29N3O2/c1-3-10-28(11-4-1)29-18-20-31(21-19-29)44-46-43(30-12-5-2-6-13-30)47-45(48-44)35-15-9-17-41-42(35)37-27-33(23-25-40(37)50-41)32-22-24-39-36(26-32)34-14-7-8-16-38(34)49-39/h1-27,45H,(H,46,47,48)
InChIKeyOCALJCFEKCPJAS-UHFFFAOYSA-N
MW643.75 g/mol
LogP11.31
Rot. Bonds5

About 4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine

4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine (PubChem CID 170248098) has the molecular formula C45H29N3O2 and a molecular weight of 643.75 g/mol. Its IUPAC name is 4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
PubChem CID170248098
Molecular FormulaC45H29N3O2
Molecular Weight643.75 g/mol
Exact Mass643.23
IUPAC Name4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3cccc4oc5ccc(-c6ccc7oc8ccccc8c7c6)cc5c34)N=C(c3ccc(-c4ccccc4)cc3)N2)cc1
InChIInChI=1S/C45H29N3O2/c1-3-10-28(11-4-1)29-18-20-31(21-19-29)44-46-43(30-12-5-2-6-13-30)47-45(48-44)35-15-9-17-41-42(35)37-27-33(23-25-40(37)50-41)32-22-24-39-36(26-32)34-14-7-8-16-38(34)49-39/h1-27,45H,(H,46,47,48)
InChIKeyOCALJCFEKCPJAS-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

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-2-yl-4-(7-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 167029928
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-4-yl-6-phenyl-4-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030484
2-dibenzofuran-4-yl-4-(8-phenanthren-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 167029735
4-dibenzofuran-3-yl-2-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 170249363
4-dibenzofuran-4-yl-2-(8-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170293724
2-naphthalen-1-yl-6-phenyl-4-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030014
4-(6-dibenzofuran-4-yldibenzofuran-1-yl)-2-phenanthren-3-yl-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 167419816
2-(8-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-4-(4-phenylnaphthalen-1-yl)-1,4-dihydro-1,3,5-triazine
CID 170246449
4-[8-[5-(3,5-diphenylphenyl)cyclohexa-1,3-dien-1-yl]dibenzofuran-1-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 134199439

Frequently Asked Questions

What is the IUPAC name of 4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine (CID 170248098) is 4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine is c1ccc(C2=NC(c3cccc4oc5ccc(-c6ccc7oc8ccccc8c7c6)cc5c34)N=C(c3ccc(-c4ccccc4)cc3)N2)cc1.
What is the InChIKey of 4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine?
The InChIKey is OCALJCFEKCPJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N3O2/c1-3-10-28(11-4-1)29-18-20-31(21-19-29)44-46-43(30-12-5-2-6-13-30)47-45(48-44)35-15-9-17-41-42(35)37-27-33(23-25-40(37)50-41)32-22-24-39-36(26-32)34-14-7-8-16-38(34)49-39/h1-27,45H,(H,46,47,48).
What are the key properties of 4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine?
4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-2-phenyl-6-(4-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 4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 170248098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).