(1S,2R,7R,8S,9S)-8-phenyl-13-(phenylhydrazinylidene)tricyclo[7.3.1.02,7]tridecan-2-ol

C25H30N2O — CID 18555899

IUPAC(1S,2R,7R,8S,9S)-8-phenyl-13-(phenylhydrazinylidene)tricyclo[7.3.1.02,7]tridecan-2-ol
SMILESO[C@]12CCCC[C@@H]1[C@@H](c1ccccc1)[C@@H]1CCC[C@H]2C1=NNc1ccccc1
InChIInChI=1S/C25H30N2O/c28-25-17-8-7-15-21(25)23(18-10-3-1-4-11-18)20-14-9-16-22(25)24(20)27-26-19-12-5-2-6-13-19/h1-6,10-13,20-23,26,28H,7-9,14-17H2/t20-,21+,22-,23-,25+/m0/s1
InChIKeyQYOXYFORJPSJMA-GPUWNAPISA-N
MW374.53 g/mol
LogP5.59
Rot. Bonds3

About (1S,2R,7R,8S,9S)-8-phenyl-13-(phenylhydrazinylidene)tricyclo[7.3.1.02,7]tridecan-2-ol

(1S,2R,7R,8S,9S)-8-phenyl-13-(phenylhydrazinylidene)tricyclo[7.3.1.02,7]tridecan-2-ol (PubChem CID 18555899) has the molecular formula C25H30N2O and a molecular weight of 374.53 g/mol. Its IUPAC name is (1S,2R,7R,8S,9S)-8-phenyl-13-(phenylhydrazinylidene)tricyclo[7.3.1.02,7]tridecan-2-ol.

Molecular Properties

Compound Name(1S,2R,7R,8S,9S)-8-phenyl-13-(phenylhydrazinylidene)tricyclo[7.3.1.02,7]tridecan-2-ol
PubChem CID18555899
Molecular FormulaC25H30N2O
Molecular Weight374.53 g/mol
Exact Mass374.24
IUPAC Name(1S,2R,7R,8S,9S)-8-phenyl-13-(phenylhydrazinylidene)tricyclo[7.3.1.02,7]tridecan-2-ol
SMILESO[C@]12CCCC[C@@H]1[C@@H](c1ccccc1)[C@@H]1CCC[C@H]2C1=NNc1ccccc1
InChIInChI=1S/C25H30N2O/c28-25-17-8-7-15-21(25)23(18-10-3-1-4-11-18)20-14-9-16-22(25)24(20)27-26-19-12-5-2-6-13-19/h1-6,10-13,20-23,26,28H,7-9,14-17H2/t20-,21+,22-,23-,25+/m0/s1
InChIKeyQYOXYFORJPSJMA-GPUWNAPISA-N
XLogP5.59
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.53
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,7R,8S,9S)-8-phenyl-13-(phenylhydrazinylidene)tricyclo[7.3.1.02,7]tridecan-2-ol?
The IUPAC name of (1S,2R,7R,8S,9S)-8-phenyl-13-(phenylhydrazinylidene)tricyclo[7.3.1.02,7]tridecan-2-ol (CID 18555899) is (1S,2R,7R,8S,9S)-8-phenyl-13-(phenylhydrazinylidene)tricyclo[7.3.1.02,7]tridecan-2-ol.
What is the SMILES notation for (1S,2R,7R,8S,9S)-8-phenyl-13-(phenylhydrazinylidene)tricyclo[7.3.1.02,7]tridecan-2-ol?
The canonical SMILES for (1S,2R,7R,8S,9S)-8-phenyl-13-(phenylhydrazinylidene)tricyclo[7.3.1.02,7]tridecan-2-ol is O[C@]12CCCC[C@@H]1[C@@H](c1ccccc1)[C@@H]1CCC[C@H]2C1=NNc1ccccc1.
What is the InChIKey of (1S,2R,7R,8S,9S)-8-phenyl-13-(phenylhydrazinylidene)tricyclo[7.3.1.02,7]tridecan-2-ol?
The InChIKey is QYOXYFORJPSJMA-GPUWNAPISA-N. The full InChI is InChI=1S/C25H30N2O/c28-25-17-8-7-15-21(25)23(18-10-3-1-4-11-18)20-14-9-16-22(25)24(20)27-26-19-12-5-2-6-13-19/h1-6,10-13,20-23,26,28H,7-9,14-17H2/t20-,21+,22-,23-,25+/m0/s1.
What are the key properties of (1S,2R,7R,8S,9S)-8-phenyl-13-(phenylhydrazinylidene)tricyclo[7.3.1.02,7]tridecan-2-ol?
(1S,2R,7R,8S,9S)-8-phenyl-13-(phenylhydrazinylidene)tricyclo[7.3.1.02,7]tridecan-2-ol has a molecular weight of 374.53 g/mol, XLogP of 5.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,7R,8S,9S)-8-phenyl-13-(phenylhydrazinylidene)tricyclo[7.3.1.02,7]tridecan-2-ol is sourced from PubChem (CID 18555899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).