2-[1-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-2-yl]-2,3-dihydro-1,3-benzoxazole

C32H26N4O — CID 129099820

IUPAC2-[1-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-2-yl]-2,3-dihydro-1,3-benzoxazole
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3c(C4Nc5ccccc5O4)ccc4ccccc34)N2)cc1
InChIInChI=1S/C32H26N4O/c1-3-12-22(13-4-1)29-34-30(23-14-5-2-6-15-23)36-31(35-29)28-24-16-8-7-11-21(24)19-20-25(28)32-33-26-17-9-10-18-27(26)37-32/h1-20,29,31-33,35H,(H,34,36)
InChIKeyZVVVINWRSCZWDY-UHFFFAOYSA-N
MW482.59 g/mol
LogP6.68
Rot. Bonds4

About 2-[1-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-2-yl]-2,3-dihydro-1,3-benzoxazole

2-[1-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-2-yl]-2,3-dihydro-1,3-benzoxazole (PubChem CID 129099820) has the molecular formula C32H26N4O and a molecular weight of 482.59 g/mol. Its IUPAC name is 2-[1-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-2-yl]-2,3-dihydro-1,3-benzoxazole.

Molecular Properties

Compound Name2-[1-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-2-yl]-2,3-dihydro-1,3-benzoxazole
PubChem CID129099820
Molecular FormulaC32H26N4O
Molecular Weight482.59 g/mol
Exact Mass482.21
IUPAC Name2-[1-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-2-yl]-2,3-dihydro-1,3-benzoxazole
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3c(C4Nc5ccccc5O4)ccc4ccccc34)N2)cc1
InChIInChI=1S/C32H26N4O/c1-3-12-22(13-4-1)29-34-30(23-14-5-2-6-15-23)36-31(35-29)28-24-16-8-7-11-21(24)19-20-25(28)32-33-26-17-9-10-18-27(26)37-32/h1-20,29,31-33,35H,(H,34,36)
InChIKeyZVVVINWRSCZWDY-UHFFFAOYSA-N
XLogP6.68
TPSA57.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.59
LogP ≤ 56.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[1-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-2-yl]-2,3-dihydro-1,3-benzoxazole with MolForge

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Related Compounds

2-[1-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-2-yl]-2,3-dihydro-1H-benzimidazole
CID 129099185
2-(2-bromonaphthalen-1-yl)-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129099671
2-[1-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129099481
2-[1-(4-naphthalen-1-yl-6-phenyl-1,2,3,4-tetrahydropyrimidin-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129099479
6-[4-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]phenanthridine
CID 118952140
2-[2-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129099536
2-[2-(4-naphtho[2,3-b][1]benzofuran-6-ylphenyl)naphthalen-1-yl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129099184
2-[10-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenanthren-9-yl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129099126
(Z)-1-[4-[1-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-4-phenylbut-2-ene-1,4-diimine
CID 129099823
2-phenyl-10-[2-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole
CID 134401083
4,6-diphenyl-2-(4-triphenylen-2-ylnaphthalen-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 166696111
12-[7-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),3,5,7,9,14,16,18,20-nonaene
CID 156553818

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-2-yl]-2,3-dihydro-1,3-benzoxazole?
The IUPAC name of 2-[1-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-2-yl]-2,3-dihydro-1,3-benzoxazole (CID 129099820) is 2-[1-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-2-yl]-2,3-dihydro-1,3-benzoxazole.
What is the SMILES notation for 2-[1-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-2-yl]-2,3-dihydro-1,3-benzoxazole?
The canonical SMILES for 2-[1-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-2-yl]-2,3-dihydro-1,3-benzoxazole is c1ccc(C2=NC(c3ccccc3)NC(c3c(C4Nc5ccccc5O4)ccc4ccccc34)N2)cc1.
What is the InChIKey of 2-[1-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-2-yl]-2,3-dihydro-1,3-benzoxazole?
The InChIKey is ZVVVINWRSCZWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N4O/c1-3-12-22(13-4-1)29-34-30(23-14-5-2-6-15-23)36-31(35-29)28-24-16-8-7-11-21(24)19-20-25(28)32-33-26-17-9-10-18-27(26)37-32/h1-20,29,31-33,35H,(H,34,36).
What are the key properties of 2-[1-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-2-yl]-2,3-dihydro-1,3-benzoxazole?
2-[1-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-2-yl]-2,3-dihydro-1,3-benzoxazole has a molecular weight of 482.59 g/mol, XLogP of 6.68, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-2-yl]-2,3-dihydro-1,3-benzoxazole is sourced from PubChem (CID 129099820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).