2-(7-naphthalen-2-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine

C37H23N3O — CID 142491219

IUPAC2-(7-naphthalen-2-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3cc(-c5ccc6ccccc6c5)ccc34)n2)cc1
InChIInChI=1S/C37H23N3O/c1-3-10-25(11-4-1)35-38-36(26-12-5-2-6-13-26)40-37(39-35)30-18-20-32-31-19-17-29(22-33(31)41-34(32)23-30)28-16-15-24-9-7-8-14-27(24)21-28/h1-23H
InChIKeyMCZLQJBGWHMLEO-UHFFFAOYSA-N
MW525.61 g/mol
LogP9.59
Rot. Bonds4

About 2-(7-naphthalen-2-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine

2-(7-naphthalen-2-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 142491219) has the molecular formula C37H23N3O and a molecular weight of 525.61 g/mol. Its IUPAC name is 2-(7-naphthalen-2-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(7-naphthalen-2-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
PubChem CID142491219
Molecular FormulaC37H23N3O
Molecular Weight525.61 g/mol
Exact Mass525.18
IUPAC Name2-(7-naphthalen-2-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3cc(-c5ccc6ccccc6c5)ccc34)n2)cc1
InChIInChI=1S/C37H23N3O/c1-3-10-25(11-4-1)35-38-36(26-12-5-2-6-13-26)40-37(39-35)30-18-20-32-31-19-17-29(22-33(31)41-34(32)23-30)28-16-15-24-9-7-8-14-27(24)21-28/h1-23H
InChIKeyMCZLQJBGWHMLEO-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-naphthalen-2-ylphenyl)-4-phenyl-6-[4-(7-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine
CID 170213966
2-naphthalen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-[4-(7-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine
CID 170213969
2-naphthalen-2-yl-4-(6-naphtho[2,3-b][1]benzofuran-3-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine
CID 146919730
2-dibenzofuran-3-yl-4-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 139571676
2-(8-naphthalen-2-yldibenzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 167402984
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 177119872
2,4-diphenyl-6-[6-[7-(3-phenylphenyl)dibenzofuran-3-yl]naphthalen-2-yl]-1,3,5-triazine
CID 171596932
2,4-dinaphthalen-2-yl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine
CID 176616855
2-naphthalen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-naphtho[2,3-b][1]benzofuran-3-yl-1,3,5-triazine
CID 163675937
2-(3-dibenzofuran-3-yl-5-phenylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 172545443
2-phenyl-4-(4-phenylphenyl)-6-[7-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 166952902
2-naphthalen-2-yl-4-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-20-yl)-6-phenyl-1,3,5-triazine
CID 158202082

Frequently Asked Questions

What is the IUPAC name of 2-(7-naphthalen-2-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(7-naphthalen-2-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine (CID 142491219) is 2-(7-naphthalen-2-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(7-naphthalen-2-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(7-naphthalen-2-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3cc(-c5ccc6ccccc6c5)ccc34)n2)cc1.
What is the InChIKey of 2-(7-naphthalen-2-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is MCZLQJBGWHMLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N3O/c1-3-10-25(11-4-1)35-38-36(26-12-5-2-6-13-26)40-37(39-35)30-18-20-32-31-19-17-29(22-33(31)41-34(32)23-30)28-16-15-24-9-7-8-14-27(24)21-28/h1-23H.
What are the key properties of 2-(7-naphthalen-2-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine?
2-(7-naphthalen-2-yldibenzofuran-3-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-(7-naphthalen-2-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 142491219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).