2-(4-chloronaphthalen-1-yl)-4-dibenzofuran-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine

C31H18ClN3O — CID 170941961

IUPAC2-(4-chloronaphthalen-1-yl)-4-dibenzofuran-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc(Cl)c4ccccc34)nc(-c3cccc4c3oc3ccccc34)n2)c([2H])c1[2H]
InChIInChI=1S/C31H18ClN3O/c32-26-18-17-24(20-11-4-5-12-21(20)26)30-33-29(19-9-2-1-3-10-19)34-31(35-30)25-15-8-14-23-22-13-6-7-16-27(22)36-28(23)25/h1-18H/i1D,2D,3D,9D,10D
InChIKeyGXBSMNJPMFJHNW-MYWHSQMISA-N
MW488.99 g/mol
LogP8.58
Rot. Bonds3

About 2-(4-chloronaphthalen-1-yl)-4-dibenzofuran-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine

2-(4-chloronaphthalen-1-yl)-4-dibenzofuran-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine (PubChem CID 170941961) has the molecular formula C31H18ClN3O and a molecular weight of 488.99 g/mol. Its IUPAC name is 2-(4-chloronaphthalen-1-yl)-4-dibenzofuran-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-chloronaphthalen-1-yl)-4-dibenzofuran-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
PubChem CID170941961
Molecular FormulaC31H18ClN3O
Molecular Weight488.99 g/mol
Exact Mass488.15
IUPAC Name2-(4-chloronaphthalen-1-yl)-4-dibenzofuran-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc(Cl)c4ccccc34)nc(-c3cccc4c3oc3ccccc34)n2)c([2H])c1[2H]
InChIInChI=1S/C31H18ClN3O/c32-26-18-17-24(20-11-4-5-12-21(20)26)30-33-29(19-9-2-1-3-10-19)34-31(35-30)25-15-8-14-23-22-13-6-7-16-27(22)36-28(23)25/h1-18H/i1D,2D,3D,9D,10D
InChIKeyGXBSMNJPMFJHNW-MYWHSQMISA-N
XLogP8.58
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.99
LogP ≤ 58.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-dibenzofuran-4-yl-4-[4-(2,8-dideuteriodibenzofuran-1-yl)naphthalen-1-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 170941804
2-dibenzofuran-4-yl-4-[5-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)naphthalen-1-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 171457308
2-(4-chlorodibenzofuran-1-yl)-4-dibenzofuran-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 171587104
2,4-bis(2,3,4,5,6-pentadeuteriophenyl)-6-(8-triphenylen-2-yldibenzofuran-4-yl)-1,3,5-triazine
CID 168770416
2-dibenzofuran-4-yl-4-(3-dibenzofuran-1-ylnaphthalen-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 171457254
8-[5-[4-dibenzofuran-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 155788683
2-dibenzofuran-4-yl-4-[6-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine
CID 168770330
2-dibenzofuran-4-yl-4-phenyl-6-[4-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-yl]-1,3,5-triazine
CID 155481121
8-[4-dibenzofuran-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 155789060
2,4-di(dibenzofuran-4-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 163620133
2-(9-dibenzofuran-4-yldibenzofuran-1-yl)-4-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 168769914
2-dibenzofuran-4-yl-4-[8-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 168770269

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloronaphthalen-1-yl)-4-dibenzofuran-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine?
The IUPAC name of 2-(4-chloronaphthalen-1-yl)-4-dibenzofuran-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine (CID 170941961) is 2-(4-chloronaphthalen-1-yl)-4-dibenzofuran-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(4-chloronaphthalen-1-yl)-4-dibenzofuran-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine?
The canonical SMILES for 2-(4-chloronaphthalen-1-yl)-4-dibenzofuran-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine is [2H]c1c([2H])c([2H])c(-c2nc(-c3ccc(Cl)c4ccccc34)nc(-c3cccc4c3oc3ccccc34)n2)c([2H])c1[2H].
What is the InChIKey of 2-(4-chloronaphthalen-1-yl)-4-dibenzofuran-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine?
The InChIKey is GXBSMNJPMFJHNW-MYWHSQMISA-N. The full InChI is InChI=1S/C31H18ClN3O/c32-26-18-17-24(20-11-4-5-12-21(20)26)30-33-29(19-9-2-1-3-10-19)34-31(35-30)25-15-8-14-23-22-13-6-7-16-27(22)36-28(23)25/h1-18H/i1D,2D,3D,9D,10D.
What are the key properties of 2-(4-chloronaphthalen-1-yl)-4-dibenzofuran-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine?
2-(4-chloronaphthalen-1-yl)-4-dibenzofuran-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine has a molecular weight of 488.99 g/mol, XLogP of 8.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloronaphthalen-1-yl)-4-dibenzofuran-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine is sourced from PubChem (CID 170941961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).