(4E)-4-[chloro-(4-phenylphenyl)methylidene]spiro[4.5]dec-9-ene

C23H23Cl — CID 134946135

IUPAC(4E)-4-[chloro-(4-phenylphenyl)methylidene]spiro[4.5]dec-9-ene
SMILESCl/C(=C1\CCCC12C=CCCC2)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H23Cl/c24-22(21-10-7-17-23(21)15-5-2-6-16-23)20-13-11-19(12-14-20)18-8-3-1-4-9-18/h1,3-5,8-9,11-15H,2,6-7,10,16-17H2/b22-21+
InChIKeyORHGXTAAVLBONV-QURGRASLSA-N
MW334.89 g/mol
LogP7.21
Rot. Bonds2

About (4E)-4-[chloro-(4-phenylphenyl)methylidene]spiro[4.5]dec-9-ene

(4E)-4-[chloro-(4-phenylphenyl)methylidene]spiro[4.5]dec-9-ene (PubChem CID 134946135) has the molecular formula C23H23Cl and a molecular weight of 334.89 g/mol. Its IUPAC name is (4E)-4-[chloro-(4-phenylphenyl)methylidene]spiro[4.5]dec-9-ene.

Molecular Properties

Compound Name(4E)-4-[chloro-(4-phenylphenyl)methylidene]spiro[4.5]dec-9-ene
PubChem CID134946135
Molecular FormulaC23H23Cl
Molecular Weight334.89 g/mol
Exact Mass334.15
IUPAC Name(4E)-4-[chloro-(4-phenylphenyl)methylidene]spiro[4.5]dec-9-ene
SMILESCl/C(=C1\CCCC12C=CCCC2)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H23Cl/c24-22(21-10-7-17-23(21)15-5-2-6-16-23)20-13-11-19(12-14-20)18-8-3-1-4-9-18/h1,3-5,8-9,11-15H,2,6-7,10,16-17H2/b22-21+
InChIKeyORHGXTAAVLBONV-QURGRASLSA-N
XLogP7.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.89
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(4E,5S)-4-[chloro-(4-methylphenyl)methylidene]spiro[4.5]dec-9-ene
CID 139040140
(4E)-4-[fluoro(phenyl)methylidene]spiro[4.5]dec-9-ene
CID 71722676
[chloro(cyclopropylidene)methyl]benzene
CID 11412576
1-(4-phenylphenyl)ethenethiol
CID 142504756
(1-aminocyclopentyl)-(4-phenylphenyl)methanone
CID 116558729
[chloro-(4-phenylphenyl)methylidene]oxidanium
CID 143439036
1,1'-biphenyl;cycloheptane
CID 174877368
spiro[3,5-dihydro-1H-2-benzazepine-4,3'-cyclohexene]-2-ylmethanol
CID 142106754
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
1-(4-phenylbenzoyl)cyclopropane-1-carboxylic acid
CID 116920972
(4-phenylphenyl)-(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171943286
1-(4-phenylphenyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 54356816

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[chloro-(4-phenylphenyl)methylidene]spiro[4.5]dec-9-ene?
The IUPAC name of (4E)-4-[chloro-(4-phenylphenyl)methylidene]spiro[4.5]dec-9-ene (CID 134946135) is (4E)-4-[chloro-(4-phenylphenyl)methylidene]spiro[4.5]dec-9-ene.
What is the SMILES notation for (4E)-4-[chloro-(4-phenylphenyl)methylidene]spiro[4.5]dec-9-ene?
The canonical SMILES for (4E)-4-[chloro-(4-phenylphenyl)methylidene]spiro[4.5]dec-9-ene is Cl/C(=C1\CCCC12C=CCCC2)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (4E)-4-[chloro-(4-phenylphenyl)methylidene]spiro[4.5]dec-9-ene?
The InChIKey is ORHGXTAAVLBONV-QURGRASLSA-N. The full InChI is InChI=1S/C23H23Cl/c24-22(21-10-7-17-23(21)15-5-2-6-16-23)20-13-11-19(12-14-20)18-8-3-1-4-9-18/h1,3-5,8-9,11-15H,2,6-7,10,16-17H2/b22-21+.
What are the key properties of (4E)-4-[chloro-(4-phenylphenyl)methylidene]spiro[4.5]dec-9-ene?
(4E)-4-[chloro-(4-phenylphenyl)methylidene]spiro[4.5]dec-9-ene has a molecular weight of 334.89 g/mol, XLogP of 7.21, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[chloro-(4-phenylphenyl)methylidene]spiro[4.5]dec-9-ene is sourced from PubChem (CID 134946135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).