CID 10919715

C25H25O3ReW — CID 10919715

IUPAC—
SMILESC[C]1[C](C)[C](C)[C](C)[C]1C.[C-]#Cc1ccccc1.[C-]#[O+].[C-]#[O+].[CH]1[CH][CH][CH][CH]1.[O+]#[W].[Re]
InChIInChI=1S/C10H15.C8H5.C5H5.2CO.O.Re.W/c1-6-7(2)9(4)10(5)8(6)3;1-2-8-6-4-3-5-7-8;1-2-4-5-3-1;2*1-2;;;/h1-5H3;3-7H;1-5H;;;;;/q;-1;;;;+1;;
InChIKeyBSBXBANYSNONKQ-UHFFFAOYSA-N
MW743.52 g/mol
LogP5.42
Rot. Bonds

About CID 10919715

CID 10919715 (PubChem CID 10919715) has the molecular formula C25H25O3ReW and a molecular weight of 743.52 g/mol.

Molecular Properties

Compound NameCID 10919715
PubChem CID10919715
Molecular FormulaC25H25O3ReW
Molecular Weight743.52 g/mol
Exact Mass744.09
IUPAC Name—
SMILESC[C]1[C](C)[C](C)[C](C)[C]1C.[C-]#Cc1ccccc1.[C-]#[O+].[C-]#[O+].[CH]1[CH][CH][CH][CH]1.[O+]#[W].[Re]
InChIInChI=1S/C10H15.C8H5.C5H5.2CO.O.Re.W/c1-6-7(2)9(4)10(5)8(6)3;1-2-8-6-4-3-5-7-8;1-2-4-5-3-1;2*1-2;;;/h1-5H3;3-7H;1-5H;;;;;/q;-1;;;;+1;;
InChIKeyBSBXBANYSNONKQ-UHFFFAOYSA-N
XLogP5.42
TPSA59.70 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.52
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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ethynylbenzene;platinum;bis(triphenylphosphane)
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CID 13126549
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CID 177388924
ethynylbenzene;stibane
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CID 10939703
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CID 134981564

Frequently Asked Questions

What is the IUPAC name of CID 10919715?
The IUPAC name of CID 10919715 (CID 10919715) is not available.
What is the SMILES notation for CID 10919715?
The canonical SMILES for CID 10919715 is C[C]1[C](C)[C](C)[C](C)[C]1C.[C-]#Cc1ccccc1.[C-]#[O+].[C-]#[O+].[CH]1[CH][CH][CH][CH]1.[O+]#[W].[Re].
What is the InChIKey of CID 10919715?
The InChIKey is BSBXBANYSNONKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15.C8H5.C5H5.2CO.O.Re.W/c1-6-7(2)9(4)10(5)8(6)3;1-2-8-6-4-3-5-7-8;1-2-4-5-3-1;2*1-2;;;/h1-5H3;3-7H;1-5H;;;;;/q;-1;;;;+1;;.
What are the key properties of CID 10919715?
CID 10919715 has a molecular weight of 743.52 g/mol, XLogP of 5.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10919715 is sourced from PubChem (CID 10919715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).