2-dibenzofuran-3-yl-4-[8-(2,3-dihydrodibenzofuran-3-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine

C45H27N3O3 — CID 146544017

IUPAC2-dibenzofuran-3-yl-4-[8-(2,3-dihydrodibenzofuran-3-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine
SMILESC1=c2oc3ccccc3c2=CCC1c1ccc2oc3cc(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)oc5ccccc56)n4)ccc3c2c1
InChIInChI=1S/C45H27N3O3/c1-2-8-26(9-3-1)43-46-44(29-15-19-34-32-11-5-7-13-38(32)50-41(34)24-29)48-45(47-43)30-16-20-35-36-22-27(17-21-39(36)51-42(35)25-30)28-14-18-33-31-10-4-6-12-37(31)49-40(33)23-28/h1-13,15-25,28H,14H2
InChIKeyOACSAROKNMNEIL-UHFFFAOYSA-N
MW657.73 g/mol
LogP10.17
Rot. Bonds4

About 2-dibenzofuran-3-yl-4-[8-(2,3-dihydrodibenzofuran-3-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine

2-dibenzofuran-3-yl-4-[8-(2,3-dihydrodibenzofuran-3-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine (PubChem CID 146544017) has the molecular formula C45H27N3O3 and a molecular weight of 657.73 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-[8-(2,3-dihydrodibenzofuran-3-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-4-[8-(2,3-dihydrodibenzofuran-3-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine
PubChem CID146544017
Molecular FormulaC45H27N3O3
Molecular Weight657.73 g/mol
Exact Mass657.21
IUPAC Name2-dibenzofuran-3-yl-4-[8-(2,3-dihydrodibenzofuran-3-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine
SMILESC1=c2oc3ccccc3c2=CCC1c1ccc2oc3cc(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)oc5ccccc56)n4)ccc3c2c1
InChIInChI=1S/C45H27N3O3/c1-2-8-26(9-3-1)43-46-44(29-15-19-34-32-11-5-7-13-38(32)50-41(34)24-29)48-45(47-43)30-16-20-35-36-22-27(17-21-39(36)51-42(35)25-30)28-14-18-33-31-10-4-6-12-37(31)49-40(33)23-28/h1-13,15-25,28H,14H2
InChIKeyOACSAROKNMNEIL-UHFFFAOYSA-N
XLogP10.17
TPSA78.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.73
LogP ≤ 510.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[8-[3-(2,3-dihydrotriphenylen-2-yl)phenyl]dibenzofuran-3-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 170279862
2-(7-dibenzofuran-3-yldibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166953288
2-dibenzofuran-3-yl-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 166953269
2-[7-(4-dibenzofuran-2-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166009557
2-(7-dibenzofuran-3-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 147277372
2-dibenzofuran-3-yl-4-phenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
CID 138729900
2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138729899
2-[8-(3-dibenzothiophen-4-ylcyclohexa-2,4-dien-1-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 167201100
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 177119872
2-dibenzofuran-3-yl-4-(10-dibenzofuran-2-yltriphenylen-2-yl)-6-phenyl-1,3,5-triazine
CID 166925795
2-(3-dibenzofuran-3-ylphenyl)-4-phenyl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine
CID 155773189
2-dibenzofuran-3-yl-4-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 139571676

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-[8-(2,3-dihydrodibenzofuran-3-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-3-yl-4-[8-(2,3-dihydrodibenzofuran-3-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine (CID 146544017) is 2-dibenzofuran-3-yl-4-[8-(2,3-dihydrodibenzofuran-3-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-3-yl-4-[8-(2,3-dihydrodibenzofuran-3-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-3-yl-4-[8-(2,3-dihydrodibenzofuran-3-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine is C1=c2oc3ccccc3c2=CCC1c1ccc2oc3cc(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)oc5ccccc56)n4)ccc3c2c1.
What is the InChIKey of 2-dibenzofuran-3-yl-4-[8-(2,3-dihydrodibenzofuran-3-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine?
The InChIKey is OACSAROKNMNEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3O3/c1-2-8-26(9-3-1)43-46-44(29-15-19-34-32-11-5-7-13-38(32)50-41(34)24-29)48-45(47-43)30-16-20-35-36-22-27(17-21-39(36)51-42(35)25-30)28-14-18-33-31-10-4-6-12-37(31)49-40(33)23-28/h1-13,15-25,28H,14H2.
What are the key properties of 2-dibenzofuran-3-yl-4-[8-(2,3-dihydrodibenzofuran-3-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine?
2-dibenzofuran-3-yl-4-[8-(2,3-dihydrodibenzofuran-3-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine has a molecular weight of 657.73 g/mol, XLogP of 10.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-3-yl-4-[8-(2,3-dihydrodibenzofuran-3-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 146544017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).