2-(6-naphthalen-1-yldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine

C37H23N3O — CID 166953235

IUPAC2-(6-naphthalen-1-yldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3c(-c5cccc6ccccc56)cccc34)n2)cc1
InChIInChI=1S/C37H23N3O/c1-3-13-25(14-4-1)35-38-36(26-15-5-2-6-16-26)40-37(39-35)32-23-11-22-31-30-21-10-20-29(33(30)41-34(31)32)28-19-9-17-24-12-7-8-18-27(24)28/h1-23H
InChIKeyQGPGYUXXUQKMIO-UHFFFAOYSA-N
MW525.61 g/mol
LogP9.59
Rot. Bonds4

About 2-(6-naphthalen-1-yldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine

2-(6-naphthalen-1-yldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 166953235) has the molecular formula C37H23N3O and a molecular weight of 525.61 g/mol. Its IUPAC name is 2-(6-naphthalen-1-yldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(6-naphthalen-1-yldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
PubChem CID166953235
Molecular FormulaC37H23N3O
Molecular Weight525.61 g/mol
Exact Mass525.18
IUPAC Name2-(6-naphthalen-1-yldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3c(-c5cccc6ccccc56)cccc34)n2)cc1
InChIInChI=1S/C37H23N3O/c1-3-13-25(14-4-1)35-38-36(26-15-5-2-6-16-26)40-37(39-35)32-23-11-22-31-30-21-10-20-29(33(30)41-34(31)32)28-19-9-17-24-12-7-8-18-27(24)28/h1-23H
InChIKeyQGPGYUXXUQKMIO-UHFFFAOYSA-N
XLogP9.59
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.61
LogP ≤ 59.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 164797297
2-dibenzofuran-4-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168731919
2-[6-(2,6-diphenylphenyl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 163625706
2-[4-(10-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 164834753
2-(6-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 170213532
2-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731887
2-dibenzofuran-4-yl-4-[4-(6-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazine
CID 166743398
2-[3-(4-naphthalen-1-yl-6-phenyldibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 168721799
2-naphthalen-1-yl-4-naphtho[2,3-b][1]benzofuran-4-yl-6-phenyl-1,3,5-triazine
CID 159485403
2-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171435962
2-chloro-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 138505665
2,4-diphenyl-6-[6-[3-(3-phenylphenyl)phenyl]dibenzofuran-4-yl]-1,3,5-triazine
CID 171414948

Frequently Asked Questions

What is the IUPAC name of 2-(6-naphthalen-1-yldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(6-naphthalen-1-yldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine (CID 166953235) is 2-(6-naphthalen-1-yldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(6-naphthalen-1-yldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(6-naphthalen-1-yldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3c(-c5cccc6ccccc56)cccc34)n2)cc1.
What is the InChIKey of 2-(6-naphthalen-1-yldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is QGPGYUXXUQKMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N3O/c1-3-13-25(14-4-1)35-38-36(26-15-5-2-6-16-26)40-37(39-35)32-23-11-22-31-30-21-10-20-29(33(30)41-34(31)32)28-19-9-17-24-12-7-8-18-27(24)28/h1-23H.
What are the key properties of 2-(6-naphthalen-1-yldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine?
2-(6-naphthalen-1-yldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 525.61 g/mol, XLogP of 9.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-naphthalen-1-yldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 166953235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).