2-(4a,9b-dihydrodibenzofuran-4-yl)-4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine

C49H29N3O3 — CID 170232252

IUPAC2-(4a,9b-dihydrodibenzofuran-4-yl)-4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine
SMILESC1=CC2c3ccccc3OC2C(c2nc(-c3ccc4ccccc4c3)nc(-c3ccc(-c4cccc5oc6ccccc6c45)c4oc5ccccc5c34)n2)=C1
InChIInChI=1S/C49H29N3O3/c1-2-12-29-27-30(24-23-28(29)11-1)47-50-48(52-49(51-47)38-18-9-17-33-31-13-3-6-19-39(31)54-45(33)38)37-26-25-34(46-44(37)36-15-5-8-21-41(36)55-46)32-16-10-22-42-43(32)35-14-4-7-20-40(35)53-42/h1-27,33,45H
InChIKeyIHXHFUWBIMJDSK-UHFFFAOYSA-N
MW707.79 g/mol
LogP12.32
Rot. Bonds4

About 2-(4a,9b-dihydrodibenzofuran-4-yl)-4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine

2-(4a,9b-dihydrodibenzofuran-4-yl)-4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine (PubChem CID 170232252) has the molecular formula C49H29N3O3 and a molecular weight of 707.79 g/mol. Its IUPAC name is 2-(4a,9b-dihydrodibenzofuran-4-yl)-4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4a,9b-dihydrodibenzofuran-4-yl)-4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine
PubChem CID170232252
Molecular FormulaC49H29N3O3
Molecular Weight707.79 g/mol
Exact Mass707.22
IUPAC Name2-(4a,9b-dihydrodibenzofuran-4-yl)-4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine
SMILESC1=CC2c3ccccc3OC2C(c2nc(-c3ccc4ccccc4c3)nc(-c3ccc(-c4cccc5oc6ccccc6c45)c4oc5ccccc5c34)n2)=C1
InChIInChI=1S/C49H29N3O3/c1-2-12-29-27-30(24-23-28(29)11-1)47-50-48(52-49(51-47)38-18-9-17-33-31-13-3-6-19-39(31)54-45(33)38)37-26-25-34(46-44(37)36-15-5-8-21-41(36)55-46)32-16-10-22-42-43(32)35-14-4-7-20-40(35)53-42/h1-27,33,45H
InChIKeyIHXHFUWBIMJDSK-UHFFFAOYSA-N
XLogP12.32
TPSA74.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.79
LogP ≤ 512.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-dibenzofuran-1-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742525
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(6-phenyl-4a,9b-dihydrodibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 170013352
2-naphthalen-2-yl-4,6-bis(4-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 177112498
2-dibenzofuran-1-yl-4-(3-dibenzofuran-1-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 167182162
2-(4,4a-dihydrodibenzofuran-4-yl)-4-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 167007923
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(6-naphthalen-1-yldibenzofuran-1-yl)-1,3,5-triazine
CID 176617093
2-(4-dibenzofuran-1-yldibenzofuran-1-yl)-4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 166741703
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164972990
2-naphthalen-2-yl-4-(4-naphthalen-2-yldibenzofuran-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 166742221
2-dibenzofuran-1-yl-4-(3-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 170927804
2-dibenzofuran-1-yl-4-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 164747858
2,4-di(dibenzofuran-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 163874534

Frequently Asked Questions

What is the IUPAC name of 2-(4a,9b-dihydrodibenzofuran-4-yl)-4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine?
The IUPAC name of 2-(4a,9b-dihydrodibenzofuran-4-yl)-4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine (CID 170232252) is 2-(4a,9b-dihydrodibenzofuran-4-yl)-4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-(4a,9b-dihydrodibenzofuran-4-yl)-4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine?
The canonical SMILES for 2-(4a,9b-dihydrodibenzofuran-4-yl)-4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine is C1=CC2c3ccccc3OC2C(c2nc(-c3ccc4ccccc4c3)nc(-c3ccc(-c4cccc5oc6ccccc6c45)c4oc5ccccc5c34)n2)=C1.
What is the InChIKey of 2-(4a,9b-dihydrodibenzofuran-4-yl)-4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine?
The InChIKey is IHXHFUWBIMJDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N3O3/c1-2-12-29-27-30(24-23-28(29)11-1)47-50-48(52-49(51-47)38-18-9-17-33-31-13-3-6-19-39(31)54-45(33)38)37-26-25-34(46-44(37)36-15-5-8-21-41(36)55-46)32-16-10-22-42-43(32)35-14-4-7-20-40(35)53-42/h1-27,33,45H.
What are the key properties of 2-(4a,9b-dihydrodibenzofuran-4-yl)-4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine?
2-(4a,9b-dihydrodibenzofuran-4-yl)-4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine has a molecular weight of 707.79 g/mol, XLogP of 12.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4a,9b-dihydrodibenzofuran-4-yl)-4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine is sourced from PubChem (CID 170232252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).