(2Z,5E)-2,5-bis[(4-phenylphenyl)methylidene]cyclopentan-1-one

C31H24O — CID 2313575

IUPAC(2Z,5E)-2,5-bis[(4-phenylphenyl)methylidene]cyclopentan-1-one
SMILESO=C1/C(=C\c2ccc(-c3ccccc3)cc2)CC/C1=C\c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C31H24O/c32-31-29(21-23-11-15-27(16-12-23)25-7-3-1-4-8-25)19-20-30(31)22-24-13-17-28(18-14-24)26-9-5-2-6-10-26/h1-18,21-22H,19-20H2/b29-21-,30-22+
InChIKeyVXRMTCWRMRVEPQ-DWVPNOFWSA-N
MW412.53 g/mol
LogP7.85
Rot. Bonds4

About (2Z,5E)-2,5-bis[(4-phenylphenyl)methylidene]cyclopentan-1-one

(2Z,5E)-2,5-bis[(4-phenylphenyl)methylidene]cyclopentan-1-one (PubChem CID 2313575) has the molecular formula C31H24O and a molecular weight of 412.53 g/mol. Its IUPAC name is (2Z,5E)-2,5-bis[(4-phenylphenyl)methylidene]cyclopentan-1-one.

Molecular Properties

Compound Name(2Z,5E)-2,5-bis[(4-phenylphenyl)methylidene]cyclopentan-1-one
PubChem CID2313575
Molecular FormulaC31H24O
Molecular Weight412.53 g/mol
Exact Mass412.18
IUPAC Name(2Z,5E)-2,5-bis[(4-phenylphenyl)methylidene]cyclopentan-1-one
SMILESO=C1/C(=C\c2ccc(-c3ccccc3)cc2)CC/C1=C\c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C31H24O/c32-31-29(21-23-11-15-27(16-12-23)25-7-3-1-4-8-25)19-20-30(31)22-24-13-17-28(18-14-24)26-9-5-2-6-10-26/h1-18,21-22H,19-20H2/b29-21-,30-22+
InChIKeyVXRMTCWRMRVEPQ-DWVPNOFWSA-N
XLogP7.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.53
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_ene_A(57)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

CID 75040
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CID 1550330
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CID 68068
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CID 11707128
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CID 76395
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CID 69079
CID 69079
CID 94966
CID 94966
CID 228453
CID 228453
CID 217661
CID 217661
CID 332361
CID 332361
CID 344787
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CID 5367065
CID 5367065

Frequently Asked Questions

What is the IUPAC name of (2Z,5E)-2,5-bis[(4-phenylphenyl)methylidene]cyclopentan-1-one?
The IUPAC name of (2Z,5E)-2,5-bis[(4-phenylphenyl)methylidene]cyclopentan-1-one (CID 2313575) is (2Z,5E)-2,5-bis[(4-phenylphenyl)methylidene]cyclopentan-1-one.
What is the SMILES notation for (2Z,5E)-2,5-bis[(4-phenylphenyl)methylidene]cyclopentan-1-one?
The canonical SMILES for (2Z,5E)-2,5-bis[(4-phenylphenyl)methylidene]cyclopentan-1-one is O=C1/C(=C\c2ccc(-c3ccccc3)cc2)CC/C1=C\c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2Z,5E)-2,5-bis[(4-phenylphenyl)methylidene]cyclopentan-1-one?
The InChIKey is VXRMTCWRMRVEPQ-DWVPNOFWSA-N. The full InChI is InChI=1S/C31H24O/c32-31-29(21-23-11-15-27(16-12-23)25-7-3-1-4-8-25)19-20-30(31)22-24-13-17-28(18-14-24)26-9-5-2-6-10-26/h1-18,21-22H,19-20H2/b29-21-,30-22+.
What are the key properties of (2Z,5E)-2,5-bis[(4-phenylphenyl)methylidene]cyclopentan-1-one?
(2Z,5E)-2,5-bis[(4-phenylphenyl)methylidene]cyclopentan-1-one has a molecular weight of 412.53 g/mol, XLogP of 7.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5E)-2,5-bis[(4-phenylphenyl)methylidene]cyclopentan-1-one is sourced from PubChem (CID 2313575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).