3-phenyl-3-(4-fluorophenyl)-13,13-dimethyl-3H,13H-indeno[2',3':3,4]naphtho[1,2-b]pyran
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Basic information
- Standard SMILES
CC1(C)c2ccccc2-c2c1c1c(c3ccccc23)OC(c2ccccc2)(c2ccc(F)cc2)C=C1- InChIKey
NRIHSYWHYMCNNH-UHFFFAOYSA-N- Molecular formula
- C34H25FO
- Average molar mass
- 468.6 g/mol
Names & identifiers
- Preferred name
- 3-phenyl-3-(4-fluorophenyl)-13,13-dimethyl-3H,13H-indeno[2',3':3,4]naphtho[1,2-b]pyran
- IUPAC
- 5-(4-fluorophenyl)-21,21-dimethyl-5-phenyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene
Names & synonyms
SCHEMBL3953842NRIHSYWHYMCNNH-UHFFFAOYSA-N3-phenyl-3-(4-fluorophenyl)-13,13-dimethyl-3H,13H-indeno[2',3':3,4]naphtho[1,2-b]pyran
Database identifiers
- PubChem CID
- 68852811
Properties
Computed structural propertiesFilling in
- XLogP
- 9.3
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 819
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Related reactions
1 records
Compound notes
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