CID 24862664

C33H25Co — CID 24862664

IUPAC—
SMILES[CH]1[CH][CH][CH][CH]1.[Co].c1ccc(C2=C(c3ccccc3)C(c3ccccc3)=C2c2ccccc2)cc1
InChIInChI=1S/C28H20.C5H5.Co/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22)28(24-19-11-4-12-20-24)27(25)23-17-9-3-10-18-23;1-2-4-5-3-1;/h1-20H;1-5H;
InChIKeyXHZQHIIXWGDJBY-UHFFFAOYSA-N
MW480.50 g/mol
LogP8.24
Rot. Bonds4

About CID 24862664

CID 24862664 (PubChem CID 24862664) has the molecular formula C33H25Co and a molecular weight of 480.50 g/mol.

Molecular Properties

Compound NameCID 24862664
PubChem CID24862664
Molecular FormulaC33H25Co
Molecular Weight480.50 g/mol
Exact Mass480.13
IUPAC Name—
SMILES[CH]1[CH][CH][CH][CH]1.[Co].c1ccc(C2=C(c3ccccc3)C(c3ccccc3)=C2c2ccccc2)cc1
InChIInChI=1S/C28H20.C5H5.Co/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22)28(24-19-11-4-12-20-24)27(25)23-17-9-3-10-18-23;1-2-4-5-3-1;/h1-20H;1-5H;
InChIKeyXHZQHIIXWGDJBY-UHFFFAOYSA-N
XLogP8.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.50
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 24862664?
The IUPAC name of CID 24862664 (CID 24862664) is not available.
What is the SMILES notation for CID 24862664?
The canonical SMILES for CID 24862664 is [CH]1[CH][CH][CH][CH]1.[Co].c1ccc(C2=C(c3ccccc3)C(c3ccccc3)=C2c2ccccc2)cc1.
What is the InChIKey of CID 24862664?
The InChIKey is XHZQHIIXWGDJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20.C5H5.Co/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22)28(24-19-11-4-12-20-24)27(25)23-17-9-3-10-18-23;1-2-4-5-3-1;/h1-20H;1-5H;.
What are the key properties of CID 24862664?
CID 24862664 has a molecular weight of 480.50 g/mol, XLogP of 8.24, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 24862664 is sourced from PubChem (CID 24862664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).