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

C31H30N2O2 — CID 11037911

IUPAC3-phenyl-6-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-2,4-dihydro-1,3-benzoxazine
SMILESCC(C)(c1ccc2c(c1)CN(c1ccccc1)CO2)c1ccc2c(c1)CN(c1ccccc1)CO2
InChIInChI=1S/C31H30N2O2/c1-31(2,25-13-15-29-23(17-25)19-32(21-34-29)27-9-5-3-6-10-27)26-14-16-30-24(18-26)20-33(22-35-30)28-11-7-4-8-12-28/h3-18H,19-22H2,1-2H3
InChIKeyNAEJIUKUFIHRKT-UHFFFAOYSA-N
MW462.59 g/mol
LogP6.73
Rot. Bonds4

About 3-phenyl-6-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-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 (PubChem CID 11037911) has the molecular formula C31H30N2O2 and a molecular weight of 462.59 g/mol. Its IUPAC name is 3-phenyl-6-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-2,4-dihydro-1,3-benzoxazine.

Molecular Properties

Compound Name3-phenyl-6-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-2,4-dihydro-1,3-benzoxazine
PubChem CID11037911
Molecular FormulaC31H30N2O2
Molecular Weight462.59 g/mol
Exact Mass462.23
IUPAC Name3-phenyl-6-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-2,4-dihydro-1,3-benzoxazine
SMILESCC(C)(c1ccc2c(c1)CN(c1ccccc1)CO2)c1ccc2c(c1)CN(c1ccccc1)CO2
InChIInChI=1S/C31H30N2O2/c1-31(2,25-13-15-29-23(17-25)19-32(21-34-29)27-9-5-3-6-10-27)26-14-16-30-24(18-26)20-33(22-35-30)28-11-7-4-8-12-28/h3-18H,19-22H2,1-2H3
InChIKeyNAEJIUKUFIHRKT-UHFFFAOYSA-N
XLogP6.73
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.59
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2'-Methoxybiphenyl-3-yl methyl)-4-(2-methoxyphenyl)piperazine
CID 71678857
1-[[4-Methoxy-3-(2-methoxyphenyl)phenyl]methyl]-4-(2-methoxyphenyl)piperazine
CID 134154531
6-tert-butyl-3-(4-fluorophenyl)-3,4-dihydro-2H-1,3-benzoxazine
CID 938805
6,6'-Methylenebis(3-phenyl-3,4-dihydro-2H-1,3-benzoxazine)
CID 20582009
2-(4-Methylphenyl)-2,3-dihydro-1H-naphtho(1,2-e)(1,3)oxazine
CID 232676
Isoquinoline, 1,2,3,4-tetrahydro-1,2-diphenyl-6-methoxy-
CID 3024611
Isoquinoline, 1,2,3,4-tetrahydro-6-methoxy-1-(4-methoxyphenyl)-2-phenyl-
CID 3024623
1-Benzyl-6-methoxy-2-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 18172380
(3S,4R)-1-benzyl-6-methoxy-4-(4-methoxyphenyl)-3-methyl-3,4-dihydro-2H-quinoline
CID 72715095
6-tert-butyl-3-(3-methylphenyl)-3,4-dihydro-2H-1,3-benzoxazine
CID 943150
2-phenyl-2,3-dihydro-1H-naphtho[1,2-e][1,3]oxazine
CID 4109851
9-(4-methoxyphenyl)-10-methyl-9H-acridine
CID 11722402

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-6-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-2,4-dihydro-1,3-benzoxazine?
The IUPAC name of 3-phenyl-6-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-2,4-dihydro-1,3-benzoxazine (CID 11037911) is 3-phenyl-6-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-2,4-dihydro-1,3-benzoxazine.
What is the SMILES notation for 3-phenyl-6-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-2,4-dihydro-1,3-benzoxazine?
The canonical SMILES for 3-phenyl-6-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-2,4-dihydro-1,3-benzoxazine is CC(C)(c1ccc2c(c1)CN(c1ccccc1)CO2)c1ccc2c(c1)CN(c1ccccc1)CO2.
What is the InChIKey of 3-phenyl-6-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-2,4-dihydro-1,3-benzoxazine?
The InChIKey is NAEJIUKUFIHRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N2O2/c1-31(2,25-13-15-29-23(17-25)19-32(21-34-29)27-9-5-3-6-10-27)26-14-16-30-24(18-26)20-33(22-35-30)28-11-7-4-8-12-28/h3-18H,19-22H2,1-2H3.
What are the key properties of 3-phenyl-6-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-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 has a molecular weight of 462.59 g/mol, XLogP of 6.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-6-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-2,4-dihydro-1,3-benzoxazine is sourced from PubChem (CID 11037911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).