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

C25H16ClN3O — CID 167007774

IUPAC2-(4a,9b-dihydrodibenzofuran-1-yl)-4-chloro-6-naphthalen-1-yl-1,3,5-triazine
SMILESClc1nc(C2=CC=CC3Oc4ccccc4C23)nc(-c2cccc3ccccc23)n1
InChIInChI=1S/C25H16ClN3O/c26-25-28-23(17-11-5-8-15-7-1-2-9-16(15)17)27-24(29-25)19-12-6-14-21-22(19)18-10-3-4-13-20(18)30-21/h1-14,21-22H
InChIKeyGXOBLBFKLZGDCS-UHFFFAOYSA-N
MW409.88 g/mol
LogP5.84
Rot. Bonds2

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

2-(4a,9b-dihydrodibenzofuran-1-yl)-4-chloro-6-naphthalen-1-yl-1,3,5-triazine (PubChem CID 167007774) has the molecular formula C25H16ClN3O and a molecular weight of 409.88 g/mol. Its IUPAC name is 2-(4a,9b-dihydrodibenzofuran-1-yl)-4-chloro-6-naphthalen-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4a,9b-dihydrodibenzofuran-1-yl)-4-chloro-6-naphthalen-1-yl-1,3,5-triazine
PubChem CID167007774
Molecular FormulaC25H16ClN3O
Molecular Weight409.88 g/mol
Exact Mass409.10
IUPAC Name2-(4a,9b-dihydrodibenzofuran-1-yl)-4-chloro-6-naphthalen-1-yl-1,3,5-triazine
SMILESClc1nc(C2=CC=CC3Oc4ccccc4C23)nc(-c2cccc3ccccc23)n1
InChIInChI=1S/C25H16ClN3O/c26-25-28-23(17-11-5-8-15-7-1-2-9-16(15)17)27-24(29-25)19-12-6-14-21-22(19)18-10-3-4-13-20(18)30-21/h1-14,21-22H
InChIKeyGXOBLBFKLZGDCS-UHFFFAOYSA-N
XLogP5.84
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.88
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[4-(4a,9b-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]benzonitrile
CID 168731978
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-naphthalen-1-yl-4-phenyl-6-[9-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-1-yl]-1,3,5-triazine
CID 170007353
2-[2-(4a,9b-dihydrodibenzofuran-1-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 166741609
2-dibenzofuran-4-yl-4-(7-dibenzothiophen-4-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-naphthalen-1-yl-1,3,5-triazine
CID 167007477
2-phenyl-4-(4-phenylphenyl)-6-[7-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-1-yl]-1,3,5-triazine
CID 167184052
2-dibenzothiophen-1-yl-4-phenyl-6-(8-phenyl-4a,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine
CID 170011216
4-phenyl-9-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5a,9a-dihydrodibenzofuran-3-yl]carbazole
CID 166988314
2-[4-(7-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 170424177
2-dibenzothiophen-2-yl-4-(7-dibenzothiophen-1-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 170011885
2-chloro-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 118688280
4-[4-[4-(4a,9b-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1H-cyclopenta[b]indole
CID 166864733

Frequently Asked Questions

What is the IUPAC name of 2-(4a,9b-dihydrodibenzofuran-1-yl)-4-chloro-6-naphthalen-1-yl-1,3,5-triazine?
The IUPAC name of 2-(4a,9b-dihydrodibenzofuran-1-yl)-4-chloro-6-naphthalen-1-yl-1,3,5-triazine (CID 167007774) is 2-(4a,9b-dihydrodibenzofuran-1-yl)-4-chloro-6-naphthalen-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-(4a,9b-dihydrodibenzofuran-1-yl)-4-chloro-6-naphthalen-1-yl-1,3,5-triazine?
The canonical SMILES for 2-(4a,9b-dihydrodibenzofuran-1-yl)-4-chloro-6-naphthalen-1-yl-1,3,5-triazine is Clc1nc(C2=CC=CC3Oc4ccccc4C23)nc(-c2cccc3ccccc23)n1.
What is the InChIKey of 2-(4a,9b-dihydrodibenzofuran-1-yl)-4-chloro-6-naphthalen-1-yl-1,3,5-triazine?
The InChIKey is GXOBLBFKLZGDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16ClN3O/c26-25-28-23(17-11-5-8-15-7-1-2-9-16(15)17)27-24(29-25)19-12-6-14-21-22(19)18-10-3-4-13-20(18)30-21/h1-14,21-22H.
What are the key properties of 2-(4a,9b-dihydrodibenzofuran-1-yl)-4-chloro-6-naphthalen-1-yl-1,3,5-triazine?
2-(4a,9b-dihydrodibenzofuran-1-yl)-4-chloro-6-naphthalen-1-yl-1,3,5-triazine has a molecular weight of 409.88 g/mol, XLogP of 5.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4a,9b-dihydrodibenzofuran-1-yl)-4-chloro-6-naphthalen-1-yl-1,3,5-triazine is sourced from PubChem (CID 167007774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).