3-[3-[1-(2,3-dihydroindol-1-yl)-2,2-diphenylethenyl]phenyl]-7-methyl-10-phenyl-1,2,3,4,4a,10a-hexahydrophenoxazine

C47H42N2O — CID 123999071

IUPAC3-[3-[1-(2,3-dihydroindol-1-yl)-2,2-diphenylethenyl]phenyl]-7-methyl-10-phenyl-1,2,3,4,4a,10a-hexahydrophenoxazine
SMILESCc1ccc2c(c1)OC1CC(c3cccc(C(=C(c4ccccc4)c4ccccc4)N4CCc5ccccc54)c3)CCC1N2c1ccccc1
InChIInChI=1S/C47H42N2O/c1-33-24-26-42-44(30-33)50-45-32-38(25-27-43(45)49(42)40-21-9-4-10-22-40)37-19-13-20-39(31-37)47(48-29-28-34-14-11-12-23-41(34)48)46(35-15-5-2-6-16-35)36-17-7-3-8-18-36/h2-24,26,30-31,38,43,45H,25,27-29,32H2,1H3
InChIKeyRDGMTWQAZAUFDS-UHFFFAOYSA-N
MW650.87 g/mol
LogP11.21
Rot. Bonds6

About 3-[3-[1-(2,3-dihydroindol-1-yl)-2,2-diphenylethenyl]phenyl]-7-methyl-10-phenyl-1,2,3,4,4a,10a-hexahydrophenoxazine

3-[3-[1-(2,3-dihydroindol-1-yl)-2,2-diphenylethenyl]phenyl]-7-methyl-10-phenyl-1,2,3,4,4a,10a-hexahydrophenoxazine (PubChem CID 123999071) has the molecular formula C47H42N2O and a molecular weight of 650.87 g/mol. Its IUPAC name is 3-[3-[1-(2,3-dihydroindol-1-yl)-2,2-diphenylethenyl]phenyl]-7-methyl-10-phenyl-1,2,3,4,4a,10a-hexahydrophenoxazine.

Molecular Properties

Compound Name3-[3-[1-(2,3-dihydroindol-1-yl)-2,2-diphenylethenyl]phenyl]-7-methyl-10-phenyl-1,2,3,4,4a,10a-hexahydrophenoxazine
PubChem CID123999071
Molecular FormulaC47H42N2O
Molecular Weight650.87 g/mol
Exact Mass650.33
IUPAC Name3-[3-[1-(2,3-dihydroindol-1-yl)-2,2-diphenylethenyl]phenyl]-7-methyl-10-phenyl-1,2,3,4,4a,10a-hexahydrophenoxazine
SMILESCc1ccc2c(c1)OC1CC(c3cccc(C(=C(c4ccccc4)c4ccccc4)N4CCc5ccccc54)c3)CCC1N2c1ccccc1
InChIInChI=1S/C47H42N2O/c1-33-24-26-42-44(30-33)50-45-32-38(25-27-43(45)49(42)40-21-9-4-10-22-40)37-19-13-20-39(31-37)47(48-29-28-34-14-11-12-23-41(34)48)46(35-15-5-2-6-16-35)36-17-7-3-8-18-36/h2-24,26,30-31,38,43,45H,25,27-29,32H2,1H3
InChIKeyRDGMTWQAZAUFDS-UHFFFAOYSA-N
XLogP11.21
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.87
LogP ≤ 511.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[3-[1-(2,3-dihydroindol-1-yl)-2,2-diphenylethenyl]phenyl]-7-methyl-10-phenyl-1,2,3,4,4a,10a-hexahydrophenoxazine 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-(1,2,2-triphenylethenyl)-2,3-dihydroindole
CID 123446002
N'-(3-methylphenyl)-2,3-dihydroindole-1-carboximidamide;hydrochloride
CID 23503705
3-(2,3-dihydroindole-1-carbonyl)benzoic acid
CID 43452867
N-(2,3-dihydroindole-1-carbothioyl)-3-methylbenzamide
CID 905190
2,3-dihydroindol-1-yl-[1-(4-methylphenyl)cyclopropyl]methanone
CID 113198266
3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone
CID 669077
3-(2,3-dihydroindole-1-carbonyl)benzaldehyde
CID 90104032
1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 60614335
(2,4-dimethylphenyl) 3-[(3aS,5R,7aR)-1,3-dioxo-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]benzoate
CID 124580220
N-[2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]ethyl]-3-methylbenzamide
CID 110985230
4-(2,3-dihydroindole-1-carbonyl)-N-(2,4-dimethylphenyl)benzamide
CID 109049527
2,3-dihydroindol-1-yl-[2-[(3-methylphenyl)methylamino]pyrimidin-5-yl]methanone
CID 109255992

Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-(2,3-dihydroindol-1-yl)-2,2-diphenylethenyl]phenyl]-7-methyl-10-phenyl-1,2,3,4,4a,10a-hexahydrophenoxazine?
The IUPAC name of 3-[3-[1-(2,3-dihydroindol-1-yl)-2,2-diphenylethenyl]phenyl]-7-methyl-10-phenyl-1,2,3,4,4a,10a-hexahydrophenoxazine (CID 123999071) is 3-[3-[1-(2,3-dihydroindol-1-yl)-2,2-diphenylethenyl]phenyl]-7-methyl-10-phenyl-1,2,3,4,4a,10a-hexahydrophenoxazine.
What is the SMILES notation for 3-[3-[1-(2,3-dihydroindol-1-yl)-2,2-diphenylethenyl]phenyl]-7-methyl-10-phenyl-1,2,3,4,4a,10a-hexahydrophenoxazine?
The canonical SMILES for 3-[3-[1-(2,3-dihydroindol-1-yl)-2,2-diphenylethenyl]phenyl]-7-methyl-10-phenyl-1,2,3,4,4a,10a-hexahydrophenoxazine is Cc1ccc2c(c1)OC1CC(c3cccc(C(=C(c4ccccc4)c4ccccc4)N4CCc5ccccc54)c3)CCC1N2c1ccccc1.
What is the InChIKey of 3-[3-[1-(2,3-dihydroindol-1-yl)-2,2-diphenylethenyl]phenyl]-7-methyl-10-phenyl-1,2,3,4,4a,10a-hexahydrophenoxazine?
The InChIKey is RDGMTWQAZAUFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H42N2O/c1-33-24-26-42-44(30-33)50-45-32-38(25-27-43(45)49(42)40-21-9-4-10-22-40)37-19-13-20-39(31-37)47(48-29-28-34-14-11-12-23-41(34)48)46(35-15-5-2-6-16-35)36-17-7-3-8-18-36/h2-24,26,30-31,38,43,45H,25,27-29,32H2,1H3.
What are the key properties of 3-[3-[1-(2,3-dihydroindol-1-yl)-2,2-diphenylethenyl]phenyl]-7-methyl-10-phenyl-1,2,3,4,4a,10a-hexahydrophenoxazine?
3-[3-[1-(2,3-dihydroindol-1-yl)-2,2-diphenylethenyl]phenyl]-7-methyl-10-phenyl-1,2,3,4,4a,10a-hexahydrophenoxazine has a molecular weight of 650.87 g/mol, XLogP of 11.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-(2,3-dihydroindol-1-yl)-2,2-diphenylethenyl]phenyl]-7-methyl-10-phenyl-1,2,3,4,4a,10a-hexahydrophenoxazine is sourced from PubChem (CID 123999071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).