(4aR,9aS)-2,2-diphenyl-4-phenylselanyl-4,4a,9,9a-tetrahydro-3H-indeno[1,2-e]oxasiline

C29H26OSeSi — CID 101003573

IUPAC(4aR,9aS)-2,2-diphenyl-4-phenylselanyl-4,4a,9,9a-tetrahydro-3H-indeno[1,2-e]oxasiline
SMILESc1ccc([Se]C2C[Si](c3ccccc3)(c3ccccc3)O[C@H]3Cc4ccccc4[C@@H]23)cc1
InChIInChI=1S/C29H26OSeSi/c1-4-13-23(14-5-1)31-28-21-32(24-15-6-2-7-16-24,25-17-8-3-9-18-25)30-27-20-22-12-10-11-19-26(22)29(27)28/h1-19,27-29H,20-21H2/t27-,28?,29+/m0/s1
InChIKeyUSHQKBNGQBFGFE-ATQGWHGASA-N
MW497.57 g/mol
LogP4.30
Rot. Bonds4

About (4aR,9aS)-2,2-diphenyl-4-phenylselanyl-4,4a,9,9a-tetrahydro-3H-indeno[1,2-e]oxasiline

(4aR,9aS)-2,2-diphenyl-4-phenylselanyl-4,4a,9,9a-tetrahydro-3H-indeno[1,2-e]oxasiline (PubChem CID 101003573) has the molecular formula C29H26OSeSi and a molecular weight of 497.57 g/mol. Its IUPAC name is (4aR,9aS)-2,2-diphenyl-4-phenylselanyl-4,4a,9,9a-tetrahydro-3H-indeno[1,2-e]oxasiline.

Molecular Properties

Compound Name(4aR,9aS)-2,2-diphenyl-4-phenylselanyl-4,4a,9,9a-tetrahydro-3H-indeno[1,2-e]oxasiline
PubChem CID101003573
Molecular FormulaC29H26OSeSi
Molecular Weight497.57 g/mol
Exact Mass498.09
IUPAC Name(4aR,9aS)-2,2-diphenyl-4-phenylselanyl-4,4a,9,9a-tetrahydro-3H-indeno[1,2-e]oxasiline
SMILESc1ccc([Se]C2C[Si](c3ccccc3)(c3ccccc3)O[C@H]3Cc4ccccc4[C@@H]23)cc1
InChIInChI=1S/C29H26OSeSi/c1-4-13-23(14-5-1)31-28-21-32(24-15-6-2-7-16-24,25-17-8-3-9-18-25)30-27-20-22-12-10-11-19-26(22)29(27)28/h1-19,27-29H,20-21H2/t27-,28?,29+/m0/s1
InChIKeyUSHQKBNGQBFGFE-ATQGWHGASA-N
XLogP4.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.57
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4aR,9aS)-2,2-diphenyl-4-phenylselanyl-4,4a,9,9a-tetrahydro-3H-indeno[1,2-e]oxasiline 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

(2S,4aR,9aS)-2-methyl-2-phenyl-4,4a,9,9a-tetrahydro-3H-indeno[1,2-e]oxasiline
CID 101016996
(1R,5R)-2,6-bis(phenylselanyl)-9-oxabicyclo[3.3.1]nonane
CID 11091390
2,6-bis(phenylselanyl)-9-oxabicyclo[3.3.1]nonane
CID 12529951
(1S,2R,10R,11S)-pentacyclo[9.7.0.02,10.03,8.013,18]octadeca-3,5,7,13,15,17-hexaene
CID 102463756
1-phenylselanyl-1,2,3,4-tetrahydronaphthalene
CID 10613263
(3aS,8bR)-2-bromo-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
CID 24767136
CID 59694666
CID 59694666
2-phenylselanylcyclohexan-1-ol
CID 12531121
cis-(1S,2R)-2-phenylselanylcyclopentan-1-ol
CID 12779062
(3aR,9aR)-2,2-ditert-butyl-3a,4,9,9a-tetrahydrobenzo[f][1,3,2]benzodioxasilole
CID 6427383
7-bicyclo[4.2.0]octa-1,3,5-trienylazanium
CID 4235727
bicyclo[4.2.0]octa-1,3,5-trien-7-amine
CID 2753029

Frequently Asked Questions

What is the IUPAC name of (4aR,9aS)-2,2-diphenyl-4-phenylselanyl-4,4a,9,9a-tetrahydro-3H-indeno[1,2-e]oxasiline?
The IUPAC name of (4aR,9aS)-2,2-diphenyl-4-phenylselanyl-4,4a,9,9a-tetrahydro-3H-indeno[1,2-e]oxasiline (CID 101003573) is (4aR,9aS)-2,2-diphenyl-4-phenylselanyl-4,4a,9,9a-tetrahydro-3H-indeno[1,2-e]oxasiline.
What is the SMILES notation for (4aR,9aS)-2,2-diphenyl-4-phenylselanyl-4,4a,9,9a-tetrahydro-3H-indeno[1,2-e]oxasiline?
The canonical SMILES for (4aR,9aS)-2,2-diphenyl-4-phenylselanyl-4,4a,9,9a-tetrahydro-3H-indeno[1,2-e]oxasiline is c1ccc([Se]C2C[Si](c3ccccc3)(c3ccccc3)O[C@H]3Cc4ccccc4[C@@H]23)cc1.
What is the InChIKey of (4aR,9aS)-2,2-diphenyl-4-phenylselanyl-4,4a,9,9a-tetrahydro-3H-indeno[1,2-e]oxasiline?
The InChIKey is USHQKBNGQBFGFE-ATQGWHGASA-N. The full InChI is InChI=1S/C29H26OSeSi/c1-4-13-23(14-5-1)31-28-21-32(24-15-6-2-7-16-24,25-17-8-3-9-18-25)30-27-20-22-12-10-11-19-26(22)29(27)28/h1-19,27-29H,20-21H2/t27-,28?,29+/m0/s1.
What are the key properties of (4aR,9aS)-2,2-diphenyl-4-phenylselanyl-4,4a,9,9a-tetrahydro-3H-indeno[1,2-e]oxasiline?
(4aR,9aS)-2,2-diphenyl-4-phenylselanyl-4,4a,9,9a-tetrahydro-3H-indeno[1,2-e]oxasiline has a molecular weight of 497.57 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,9aS)-2,2-diphenyl-4-phenylselanyl-4,4a,9,9a-tetrahydro-3H-indeno[1,2-e]oxasiline is sourced from PubChem (CID 101003573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).