2-[2-(4a,9b-dihydrodibenzofuran-1-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine

C37H25N3O — CID 166741609

IUPAC2-[2-(4a,9b-dihydrodibenzofuran-1-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
SMILESC1=CC2Oc3ccccc3C2C(c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccc4ccccc4c3)n2)=C1
InChIInChI=1S/C37H25N3O/c1-2-12-25(13-3-1)35-38-36(27-22-21-24-11-4-5-14-26(24)23-27)40-37(39-35)30-16-7-6-15-28(30)29-18-10-20-33-34(29)31-17-8-9-19-32(31)41-33/h1-23,33-34H
InChIKeyRWTUBDXWMIJROH-UHFFFAOYSA-N
MW527.63 g/mol
LogP8.52
Rot. Bonds4

About 2-[2-(4a,9b-dihydrodibenzofuran-1-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine

2-[2-(4a,9b-dihydrodibenzofuran-1-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine (PubChem CID 166741609) has the molecular formula C37H25N3O and a molecular weight of 527.63 g/mol. Its IUPAC name is 2-[2-(4a,9b-dihydrodibenzofuran-1-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[2-(4a,9b-dihydrodibenzofuran-1-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
PubChem CID166741609
Molecular FormulaC37H25N3O
Molecular Weight527.63 g/mol
Exact Mass527.20
IUPAC Name2-[2-(4a,9b-dihydrodibenzofuran-1-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
SMILESC1=CC2Oc3ccccc3C2C(c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccc4ccccc4c3)n2)=C1
InChIInChI=1S/C37H25N3O/c1-2-12-25(13-3-1)35-38-36(27-22-21-24-11-4-5-14-26(24)23-27)40-37(39-35)30-16-7-6-15-28(30)29-18-10-20-33-34(29)31-17-8-9-19-32(31)41-33/h1-23,33-34H
InChIKeyRWTUBDXWMIJROH-UHFFFAOYSA-N
XLogP8.52
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.63
LogP ≤ 58.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(7-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 170424177
2-(8-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 170021922
2-[5-(4a,9b-dihydrodibenzofuran-1-yl)naphthalen-1-yl]-4-phenanthren-3-yl-6-phenanthren-9-yl-1,3,5-triazine
CID 167182202
2-phenyl-4-(4-phenylphenyl)-6-[7-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-1-yl]-1,3,5-triazine
CID 167184052
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
2,4-dinaphthalen-2-yl-6-(3-phenyl-4a,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine
CID 166845890
2-(4a,9b-dihydrodibenzofuran-1-yl)-4-chloro-6-naphthalen-1-yl-1,3,5-triazine
CID 167007774
2-naphthalen-1-yl-4-phenyl-6-[9-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-1-yl]-1,3,5-triazine
CID 170007353
2-dibenzothiophen-1-yl-4-(2-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 167007481
2-dibenzothiophen-1-yl-4-phenyl-6-(8-phenyl-4a,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine
CID 170011216
2-dibenzothiophen-2-yl-4-(7-dibenzothiophen-1-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 170011885
2-dibenzofuran-1-yl-4-(3-dibenzofuran-1-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 167182162

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4a,9b-dihydrodibenzofuran-1-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-[2-(4a,9b-dihydrodibenzofuran-1-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine (CID 166741609) is 2-[2-(4a,9b-dihydrodibenzofuran-1-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-[2-(4a,9b-dihydrodibenzofuran-1-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-[2-(4a,9b-dihydrodibenzofuran-1-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine is C1=CC2Oc3ccccc3C2C(c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccc4ccccc4c3)n2)=C1.
What is the InChIKey of 2-[2-(4a,9b-dihydrodibenzofuran-1-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
The InChIKey is RWTUBDXWMIJROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25N3O/c1-2-12-25(13-3-1)35-38-36(27-22-21-24-11-4-5-14-26(24)23-27)40-37(39-35)30-16-7-6-15-28(30)29-18-10-20-33-34(29)31-17-8-9-19-32(31)41-33/h1-23,33-34H.
What are the key properties of 2-[2-(4a,9b-dihydrodibenzofuran-1-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
2-[2-(4a,9b-dihydrodibenzofuran-1-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine has a molecular weight of 527.63 g/mol, XLogP of 8.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4a,9b-dihydrodibenzofuran-1-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 166741609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).