10-(4,6-diphenyl-1,3,5-triazinan-2-yl)-2-phenyl-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole

C36H30N4O — CID 129095246

IUPAC10-(4,6-diphenyl-1,3,5-triazinan-2-yl)-2-phenyl-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole
SMILESc1ccc(C2NC(c3ccccc3)NC(c3ccc4ccc5ccc6c(c5c4c3)OC(c3ccccc3)N6)N2)cc1
InChIInChI=1S/C36H30N4O/c1-4-10-25(11-5-1)33-38-34(26-12-6-2-7-13-26)40-35(39-33)28-19-17-23-16-18-24-20-21-30-32(31(24)29(23)22-28)41-36(37-30)27-14-8-3-9-15-27/h1-22,33-40H
InChIKeyBZVONIBRBJXIDS-UHFFFAOYSA-N
MW534.66 g/mol
LogP7.67
Rot. Bonds4

About 10-(4,6-diphenyl-1,3,5-triazinan-2-yl)-2-phenyl-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole

10-(4,6-diphenyl-1,3,5-triazinan-2-yl)-2-phenyl-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole (PubChem CID 129095246) has the molecular formula C36H30N4O and a molecular weight of 534.66 g/mol. Its IUPAC name is 10-(4,6-diphenyl-1,3,5-triazinan-2-yl)-2-phenyl-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole.

Molecular Properties

Compound Name10-(4,6-diphenyl-1,3,5-triazinan-2-yl)-2-phenyl-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole
PubChem CID129095246
Molecular FormulaC36H30N4O
Molecular Weight534.66 g/mol
Exact Mass534.24
IUPAC Name10-(4,6-diphenyl-1,3,5-triazinan-2-yl)-2-phenyl-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole
SMILESc1ccc(C2NC(c3ccccc3)NC(c3ccc4ccc5ccc6c(c5c4c3)OC(c3ccccc3)N6)N2)cc1
InChIInChI=1S/C36H30N4O/c1-4-10-25(11-5-1)33-38-34(26-12-6-2-7-13-26)40-35(39-33)28-19-17-23-16-18-24-20-21-30-32(31(24)29(23)22-28)41-36(37-30)27-14-8-3-9-15-27/h1-22,33-40H
InChIKeyBZVONIBRBJXIDS-UHFFFAOYSA-N
XLogP7.67
TPSA57.35 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.66
LogP ≤ 57.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazinan-2-yl]-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole
CID 126614519
10-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)-2-phenyl-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole
CID 126614349
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
2-phenyl-9-(10-phenylanthracen-9-yl)-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole
CID 166990862
2-phenyl-10-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole
CID 146330041
9-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-2-phenyl-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole
CID 126614201
2-phenyl-9-(7-phenylindolo[2,3-b]carbazol-5-yl)-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole
CID 126614495
N-(3-dibenzothiophen-4-ylphenyl)-N,2-diphenyl-2,3-dihydronaphtho[2,1-g][1,3]benzoxazol-9-amine
CID 174319202
11,11-dimethyl-7-triphenylen-2-yl-8-oxa-6-azapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),13,15,17,19-octaene;ethane
CID 145340920
2-phenyl-9-[6-(9-phenylcarbazol-3-yl)-1,2-dihydrocarbazol-9-yl]-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole
CID 167045813
2-phenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazinan-2-yl]-1,2-dihydronaphtho[1,2-e][1,3]benzothiazole
CID 126614553
7-[2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-1-yl]-2-phenyl-2,3-dihydro-1,3-benzoxazole
CID 174333284

Frequently Asked Questions

What is the IUPAC name of 10-(4,6-diphenyl-1,3,5-triazinan-2-yl)-2-phenyl-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole?
The IUPAC name of 10-(4,6-diphenyl-1,3,5-triazinan-2-yl)-2-phenyl-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole (CID 129095246) is 10-(4,6-diphenyl-1,3,5-triazinan-2-yl)-2-phenyl-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole.
What is the SMILES notation for 10-(4,6-diphenyl-1,3,5-triazinan-2-yl)-2-phenyl-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole?
The canonical SMILES for 10-(4,6-diphenyl-1,3,5-triazinan-2-yl)-2-phenyl-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole is c1ccc(C2NC(c3ccccc3)NC(c3ccc4ccc5ccc6c(c5c4c3)OC(c3ccccc3)N6)N2)cc1.
What is the InChIKey of 10-(4,6-diphenyl-1,3,5-triazinan-2-yl)-2-phenyl-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole?
The InChIKey is BZVONIBRBJXIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30N4O/c1-4-10-25(11-5-1)33-38-34(26-12-6-2-7-13-26)40-35(39-33)28-19-17-23-16-18-24-20-21-30-32(31(24)29(23)22-28)41-36(37-30)27-14-8-3-9-15-27/h1-22,33-40H.
What are the key properties of 10-(4,6-diphenyl-1,3,5-triazinan-2-yl)-2-phenyl-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole?
10-(4,6-diphenyl-1,3,5-triazinan-2-yl)-2-phenyl-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole has a molecular weight of 534.66 g/mol, XLogP of 7.67, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4,6-diphenyl-1,3,5-triazinan-2-yl)-2-phenyl-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole is sourced from PubChem (CID 129095246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).