6-(2,4-dihydro-1,3-benzoxazin-3-yl)-3-[3-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)-2,4-dihydro-1,3-benzoxazin-6-yl]-2,4-dihydro-1,3-benzoxazine

C38H34N4O4 — CID 132528503

IUPAC6-(2,4-dihydro-1,3-benzoxazin-3-yl)-3-[3-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)-2,4-dihydro-1,3-benzoxazin-6-yl]-2,4-dihydro-1,3-benzoxazine
SMILESc1ccc(N2COc3ccc(N4COc5ccc(N6COc7ccc(N8COc9ccccc9C8)cc7C6)cc5C4)cc3C2)cc1
InChIInChI=1S/C38H34N4O4/c1-2-7-31(8-3-1)39-20-28-16-33(11-14-36(28)44-23-39)41-22-30-18-34(12-15-38(30)46-25-41)42-21-29-17-32(10-13-37(29)45-26-42)40-19-27-6-4-5-9-35(27)43-24-40/h1-18H,19-26H2
InChIKeyBNIDJLAGGBMVJU-UHFFFAOYSA-N
MW610.71 g/mol
LogP7.11
Rot. Bonds4

About 6-(2,4-dihydro-1,3-benzoxazin-3-yl)-3-[3-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)-2,4-dihydro-1,3-benzoxazin-6-yl]-2,4-dihydro-1,3-benzoxazine

6-(2,4-dihydro-1,3-benzoxazin-3-yl)-3-[3-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)-2,4-dihydro-1,3-benzoxazin-6-yl]-2,4-dihydro-1,3-benzoxazine (PubChem CID 132528503) has the molecular formula C38H34N4O4 and a molecular weight of 610.71 g/mol. Its IUPAC name is 6-(2,4-dihydro-1,3-benzoxazin-3-yl)-3-[3-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)-2,4-dihydro-1,3-benzoxazin-6-yl]-2,4-dihydro-1,3-benzoxazine.

Molecular Properties

Compound Name6-(2,4-dihydro-1,3-benzoxazin-3-yl)-3-[3-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)-2,4-dihydro-1,3-benzoxazin-6-yl]-2,4-dihydro-1,3-benzoxazine
PubChem CID132528503
Molecular FormulaC38H34N4O4
Molecular Weight610.71 g/mol
Exact Mass610.26
IUPAC Name6-(2,4-dihydro-1,3-benzoxazin-3-yl)-3-[3-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)-2,4-dihydro-1,3-benzoxazin-6-yl]-2,4-dihydro-1,3-benzoxazine
SMILESc1ccc(N2COc3ccc(N4COc5ccc(N6COc7ccc(N8COc9ccccc9C8)cc7C6)cc5C4)cc3C2)cc1
InChIInChI=1S/C38H34N4O4/c1-2-7-31(8-3-1)39-20-28-16-33(11-14-36(28)44-23-39)41-22-30-18-34(12-15-38(30)46-25-41)42-21-29-17-32(10-13-37(29)45-26-42)40-19-27-6-4-5-9-35(27)43-24-40/h1-18H,19-26H2
InChIKeyBNIDJLAGGBMVJU-UHFFFAOYSA-N
XLogP7.11
TPSA49.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.71
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 6-(2,4-dihydro-1,3-benzoxazin-3-yl)-3-[3-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)-2,4-dihydro-1,3-benzoxazin-6-yl]-2,4-dihydro-1,3-benzoxazine with MolForge

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Related Compounds

3-(3-benzylphenyl)-2,4-dihydro-1,3-benzoxazine
CID 118403247
2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)isoindole-1,3-dione
CID 132556559
3-(4-ethenylphenyl)-2,4-dihydro-1,3-benzoxazine
CID 101464312
carbanide;ethane;bis(3-phenyl-2,4-dihydro-1,3-benzoxazine);propane;yttrium
CID 159812360
methane;tris(3-phenyl-2,4-dihydro-1,3-benzoxazine);3-phenyl-6-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-2,4-dihydro-1,3-benzoxazine;propane
CID 158853295
6-ethenyl-3-phenyl-2,4-dihydro-1,3-benzoxazine
CID 132523463
3-[4-[[4-(2,4-dihydro-1,3-benzoxazin-3-yl)phenyl]methyl]phenyl]-2,4-dihydro-1,3-benzoxazine;ethane
CID 142370791
3-phenyl-6-propyl-2,4-dihydro-1,3-benzoxazine
CID 144612402
6-(1-adamantyl)-3-phenyl-2,4-dihydro-1,3-benzoxazine
CID 86011389
6-[(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)methyl]-3-[4-[[4-[8-[(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)methyl]-2,4-dihydro-1,3-benzoxazin-3-yl]phenyl]methyl]phenyl]-2,4-dihydro-1,3-benzoxazine
CID 58526204
bis[3-(2,4-dihydro-1,3-benzoxazin-3-yl)phenyl]methyl-oxidophosphanium
CID 102030085
6-[(3-methylphenyl)methyl]-3-phenyl-2,4-dihydro-1,3-benzoxazine
CID 143809181

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dihydro-1,3-benzoxazin-3-yl)-3-[3-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)-2,4-dihydro-1,3-benzoxazin-6-yl]-2,4-dihydro-1,3-benzoxazine?
The IUPAC name of 6-(2,4-dihydro-1,3-benzoxazin-3-yl)-3-[3-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)-2,4-dihydro-1,3-benzoxazin-6-yl]-2,4-dihydro-1,3-benzoxazine (CID 132528503) is 6-(2,4-dihydro-1,3-benzoxazin-3-yl)-3-[3-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)-2,4-dihydro-1,3-benzoxazin-6-yl]-2,4-dihydro-1,3-benzoxazine.
What is the SMILES notation for 6-(2,4-dihydro-1,3-benzoxazin-3-yl)-3-[3-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)-2,4-dihydro-1,3-benzoxazin-6-yl]-2,4-dihydro-1,3-benzoxazine?
The canonical SMILES for 6-(2,4-dihydro-1,3-benzoxazin-3-yl)-3-[3-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)-2,4-dihydro-1,3-benzoxazin-6-yl]-2,4-dihydro-1,3-benzoxazine is c1ccc(N2COc3ccc(N4COc5ccc(N6COc7ccc(N8COc9ccccc9C8)cc7C6)cc5C4)cc3C2)cc1.
What is the InChIKey of 6-(2,4-dihydro-1,3-benzoxazin-3-yl)-3-[3-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)-2,4-dihydro-1,3-benzoxazin-6-yl]-2,4-dihydro-1,3-benzoxazine?
The InChIKey is BNIDJLAGGBMVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34N4O4/c1-2-7-31(8-3-1)39-20-28-16-33(11-14-36(28)44-23-39)41-22-30-18-34(12-15-38(30)46-25-41)42-21-29-17-32(10-13-37(29)45-26-42)40-19-27-6-4-5-9-35(27)43-24-40/h1-18H,19-26H2.
What are the key properties of 6-(2,4-dihydro-1,3-benzoxazin-3-yl)-3-[3-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)-2,4-dihydro-1,3-benzoxazin-6-yl]-2,4-dihydro-1,3-benzoxazine?
6-(2,4-dihydro-1,3-benzoxazin-3-yl)-3-[3-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)-2,4-dihydro-1,3-benzoxazin-6-yl]-2,4-dihydro-1,3-benzoxazine has a molecular weight of 610.71 g/mol, XLogP of 7.11, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dihydro-1,3-benzoxazin-3-yl)-3-[3-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)-2,4-dihydro-1,3-benzoxazin-6-yl]-2,4-dihydro-1,3-benzoxazine is sourced from PubChem (CID 132528503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).