(5S)-1-(4-fluorophenyl)-1'-phenylspiro[4H-indazole-5,6'-cyclohexene]

C24H21FN2 — CID 155540268

IUPAC(5S)-1-(4-fluorophenyl)-1'-phenylspiro[4H-indazole-5,6'-cyclohexene]
SMILESFc1ccc(-n2ncc3c2C=C[C@]2(CCCC=C2c2ccccc2)C3)cc1
InChIInChI=1S/C24H21FN2/c25-20-9-11-21(12-10-20)27-23-13-15-24(16-19(23)17-26-27)14-5-4-8-22(24)18-6-2-1-3-7-18/h1-3,6-13,15,17H,4-5,14,16H2/t24-/m1/s1
InChIKeyBMXRHVHPOUJMAM-XMMPIXPASA-N
MW356.44 g/mol
LogP5.83
Rot. Bonds2

About (5S)-1-(4-fluorophenyl)-1'-phenylspiro[4H-indazole-5,6'-cyclohexene]

(5S)-1-(4-fluorophenyl)-1'-phenylspiro[4H-indazole-5,6'-cyclohexene] (PubChem CID 155540268) has the molecular formula C24H21FN2 and a molecular weight of 356.44 g/mol. Its IUPAC name is (5S)-1-(4-fluorophenyl)-1'-phenylspiro[4H-indazole-5,6'-cyclohexene].

Molecular Properties

Compound Name(5S)-1-(4-fluorophenyl)-1'-phenylspiro[4H-indazole-5,6'-cyclohexene]
PubChem CID155540268
Molecular FormulaC24H21FN2
Molecular Weight356.44 g/mol
Exact Mass356.17
IUPAC Name(5S)-1-(4-fluorophenyl)-1'-phenylspiro[4H-indazole-5,6'-cyclohexene]
SMILESFc1ccc(-n2ncc3c2C=C[C@]2(CCCC=C2c2ccccc2)C3)cc1
InChIInChI=1S/C24H21FN2/c25-20-9-11-21(12-10-20)27-23-13-15-24(16-19(23)17-26-27)14-5-4-8-22(24)18-6-2-1-3-7-18/h1-3,6-13,15,17H,4-5,14,16H2/t24-/m1/s1
InChIKeyBMXRHVHPOUJMAM-XMMPIXPASA-N
XLogP5.83
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.44
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-1-(4-fluorophenyl)-1'-phenylspiro[4H-indazole-5,6'-cyclohexene]?
The IUPAC name of (5S)-1-(4-fluorophenyl)-1'-phenylspiro[4H-indazole-5,6'-cyclohexene] (CID 155540268) is (5S)-1-(4-fluorophenyl)-1'-phenylspiro[4H-indazole-5,6'-cyclohexene].
What is the SMILES notation for (5S)-1-(4-fluorophenyl)-1'-phenylspiro[4H-indazole-5,6'-cyclohexene]?
The canonical SMILES for (5S)-1-(4-fluorophenyl)-1'-phenylspiro[4H-indazole-5,6'-cyclohexene] is Fc1ccc(-n2ncc3c2C=C[C@]2(CCCC=C2c2ccccc2)C3)cc1.
What is the InChIKey of (5S)-1-(4-fluorophenyl)-1'-phenylspiro[4H-indazole-5,6'-cyclohexene]?
The InChIKey is BMXRHVHPOUJMAM-XMMPIXPASA-N. The full InChI is InChI=1S/C24H21FN2/c25-20-9-11-21(12-10-20)27-23-13-15-24(16-19(23)17-26-27)14-5-4-8-22(24)18-6-2-1-3-7-18/h1-3,6-13,15,17H,4-5,14,16H2/t24-/m1/s1.
What are the key properties of (5S)-1-(4-fluorophenyl)-1'-phenylspiro[4H-indazole-5,6'-cyclohexene]?
(5S)-1-(4-fluorophenyl)-1'-phenylspiro[4H-indazole-5,6'-cyclohexene] has a molecular weight of 356.44 g/mol, XLogP of 5.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-(4-fluorophenyl)-1'-phenylspiro[4H-indazole-5,6'-cyclohexene] is sourced from PubChem (CID 155540268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).