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

C35H25N3 — CID 170179928

IUPAC2-(6-naphthalen-1-ylnaphthalen-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccccc3)N=C(c3ccc4cc(-c5cccc6ccccc56)ccc4c3)N2)cc1
InChIInChI=1S/C35H25N3/c1-3-11-25(12-4-1)33-36-34(26-13-5-2-6-14-26)38-35(37-33)30-21-19-27-22-29(20-18-28(27)23-30)32-17-9-15-24-10-7-8-16-31(24)32/h1-23,33H,(H,36,37,38)
InChIKeyVSUHVYKSQHTJOO-UHFFFAOYSA-N
MW487.61 g/mol
LogP8.16
Rot. Bonds4

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

2-(6-naphthalen-1-ylnaphthalen-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine (PubChem CID 170179928) has the molecular formula C35H25N3 and a molecular weight of 487.61 g/mol. Its IUPAC name is 2-(6-naphthalen-1-ylnaphthalen-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-(6-naphthalen-1-ylnaphthalen-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
PubChem CID170179928
Molecular FormulaC35H25N3
Molecular Weight487.61 g/mol
Exact Mass487.20
IUPAC Name2-(6-naphthalen-1-ylnaphthalen-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccccc3)N=C(c3ccc4cc(-c5cccc6ccccc56)ccc4c3)N2)cc1
InChIInChI=1S/C35H25N3/c1-3-11-25(12-4-1)33-36-34(26-13-5-2-6-14-26)38-35(37-33)30-21-19-27-22-29(20-18-28(27)23-30)32-17-9-15-24-10-7-8-16-31(24)32/h1-23,33H,(H,36,37,38)
InChIKeyVSUHVYKSQHTJOO-UHFFFAOYSA-N
XLogP8.16
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.61
LogP ≤ 58.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenanthren-3-yl-4-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170227940
2-(9-naphthalen-1-yldibenzofuran-3-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 166961458
2-dibenzofuran-1-yl-6-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-1,4-dihydro-1,3,5-triazine
CID 171054220
2-[5-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-2-yl]benzonitrile
CID 155442951
4-[2-(4-naphthalen-2-ylnaphthalen-2-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]benzonitrile
CID 174322964
4-(3-naphtho[2,1-b][1]benzofuran-11-ylphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 142294091
4-benzo[g]phenanthren-4-yl-2-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170132179
2-naphtho[2,1-b][1]benzofuran-9-yl-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 156549192
2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-4-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine
CID 170290357
2-[7-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]benzonitrile
CID 155443108
2,4-diphenyl-6-[6-(3-phenylphenyl)dibenzothiophen-2-yl]-1,4-dihydro-1,3,5-triazine
CID 166961343
4-dibenzofuran-2-yl-2-(6-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170293740

Frequently Asked Questions

What is the IUPAC name of 2-(6-naphthalen-1-ylnaphthalen-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 2-(6-naphthalen-1-ylnaphthalen-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine (CID 170179928) is 2-(6-naphthalen-1-ylnaphthalen-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-(6-naphthalen-1-ylnaphthalen-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2-(6-naphthalen-1-ylnaphthalen-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine is c1ccc(C2=NC(c3ccccc3)N=C(c3ccc4cc(-c5cccc6ccccc56)ccc4c3)N2)cc1.
What is the InChIKey of 2-(6-naphthalen-1-ylnaphthalen-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The InChIKey is VSUHVYKSQHTJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25N3/c1-3-11-25(12-4-1)33-36-34(26-13-5-2-6-14-26)38-35(37-33)30-21-19-27-22-29(20-18-28(27)23-30)32-17-9-15-24-10-7-8-16-31(24)32/h1-23,33H,(H,36,37,38).
What are the key properties of 2-(6-naphthalen-1-ylnaphthalen-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine?
2-(6-naphthalen-1-ylnaphthalen-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine has a molecular weight of 487.61 g/mol, XLogP of 8.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-naphthalen-1-ylnaphthalen-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 170179928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).