(4E)-2-cyclohexyl-4-(3-cyclohexyl-4-oxonaphthalen-1-ylidene)naphthalen-1-one

C32H32O2 — CID 59920429

IUPAC(4E)-2-cyclohexyl-4-(3-cyclohexyl-4-oxonaphthalen-1-ylidene)naphthalen-1-one
SMILESO=C1C(C2CCCCC2)=C/C(=C2/C=C(C3CCCCC3)C(=O)c3ccccc32)c2ccccc21
InChIInChI=1S/C32H32O2/c33-31-25-17-9-7-15-23(25)29(19-27(31)21-11-3-1-4-12-21)30-20-28(22-13-5-2-6-14-22)32(34)26-18-10-8-16-24(26)30/h7-10,15-22H,1-6,11-14H2/b30-29+
InChIKeyVTFCSGFROPGSTK-QVIHXGFCSA-N
MW448.61 g/mol
LogP8.00
Rot. Bonds2

About (4E)-2-cyclohexyl-4-(3-cyclohexyl-4-oxonaphthalen-1-ylidene)naphthalen-1-one

(4E)-2-cyclohexyl-4-(3-cyclohexyl-4-oxonaphthalen-1-ylidene)naphthalen-1-one (PubChem CID 59920429) has the molecular formula C32H32O2 and a molecular weight of 448.61 g/mol. Its IUPAC name is (4E)-2-cyclohexyl-4-(3-cyclohexyl-4-oxonaphthalen-1-ylidene)naphthalen-1-one.

Molecular Properties

Compound Name(4E)-2-cyclohexyl-4-(3-cyclohexyl-4-oxonaphthalen-1-ylidene)naphthalen-1-one
PubChem CID59920429
Molecular FormulaC32H32O2
Molecular Weight448.61 g/mol
Exact Mass448.24
IUPAC Name(4E)-2-cyclohexyl-4-(3-cyclohexyl-4-oxonaphthalen-1-ylidene)naphthalen-1-one
SMILESO=C1C(C2CCCCC2)=C/C(=C2/C=C(C3CCCCC3)C(=O)c3ccccc32)c2ccccc21
InChIInChI=1S/C32H32O2/c33-31-25-17-9-7-15-23(25)29(19-27(31)21-11-3-1-4-12-21)30-20-28(22-13-5-2-6-14-22)32(34)26-18-10-8-16-24(26)30/h7-10,15-22H,1-6,11-14H2/b30-29+
InChIKeyVTFCSGFROPGSTK-QVIHXGFCSA-N
XLogP8.00
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.61
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E)-2-cyclohexyl-4-(3-cyclohexyl-4-oxonaphthalen-1-ylidene)naphthalen-1-one?
The IUPAC name of (4E)-2-cyclohexyl-4-(3-cyclohexyl-4-oxonaphthalen-1-ylidene)naphthalen-1-one (CID 59920429) is (4E)-2-cyclohexyl-4-(3-cyclohexyl-4-oxonaphthalen-1-ylidene)naphthalen-1-one.
What is the SMILES notation for (4E)-2-cyclohexyl-4-(3-cyclohexyl-4-oxonaphthalen-1-ylidene)naphthalen-1-one?
The canonical SMILES for (4E)-2-cyclohexyl-4-(3-cyclohexyl-4-oxonaphthalen-1-ylidene)naphthalen-1-one is O=C1C(C2CCCCC2)=C/C(=C2/C=C(C3CCCCC3)C(=O)c3ccccc32)c2ccccc21.
What is the InChIKey of (4E)-2-cyclohexyl-4-(3-cyclohexyl-4-oxonaphthalen-1-ylidene)naphthalen-1-one?
The InChIKey is VTFCSGFROPGSTK-QVIHXGFCSA-N. The full InChI is InChI=1S/C32H32O2/c33-31-25-17-9-7-15-23(25)29(19-27(31)21-11-3-1-4-12-21)30-20-28(22-13-5-2-6-14-22)32(34)26-18-10-8-16-24(26)30/h7-10,15-22H,1-6,11-14H2/b30-29+.
What are the key properties of (4E)-2-cyclohexyl-4-(3-cyclohexyl-4-oxonaphthalen-1-ylidene)naphthalen-1-one?
(4E)-2-cyclohexyl-4-(3-cyclohexyl-4-oxonaphthalen-1-ylidene)naphthalen-1-one has a molecular weight of 448.61 g/mol, XLogP of 8.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-cyclohexyl-4-(3-cyclohexyl-4-oxonaphthalen-1-ylidene)naphthalen-1-one is sourced from PubChem (CID 59920429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).