CID 24827816

C40H50I4N8Rh2 — CID 24827816

IUPAC—
SMILESCCCCN1[C]N(c2[c-]c(N3[C]N(CCCC)C=C3)ccc2)C=C1.CCCCN1[C]N(c2[c-]c(N3[C]N(CCCC)C=C3)ccc2)C=C1.I[Rh+]I.I[Rh+]I
InChIInChI=1S/2C20H25N4.4HI.2Rh/c2*1-3-5-10-21-12-14-23(17-21)19-8-7-9-20(16-19)24-15-13-22(18-24)11-6-4-2;;;;;;/h2*7-9,12-15H,3-6,10-11H2,1-2H3;4*1H;;/q2*-1;;;;;2*+3/p-4
InChIKeyAERHPDFUSCJCFP-UHFFFAOYSA-J
MW1356.32 g/mol
LogP12.07
Rot. Bonds16

About CID 24827816

CID 24827816 (PubChem CID 24827816) has the molecular formula C40H50I4N8Rh2 and a molecular weight of 1356.32 g/mol.

Molecular Properties

Compound NameCID 24827816
PubChem CID24827816
Molecular FormulaC40H50I4N8Rh2
Molecular Weight1356.32 g/mol
Exact Mass1355.84
IUPAC Name—
SMILESCCCCN1[C]N(c2[c-]c(N3[C]N(CCCC)C=C3)ccc2)C=C1.CCCCN1[C]N(c2[c-]c(N3[C]N(CCCC)C=C3)ccc2)C=C1.I[Rh+]I.I[Rh+]I
InChIInChI=1S/2C20H25N4.4HI.2Rh/c2*1-3-5-10-21-12-14-23(17-21)19-8-7-9-20(16-19)24-15-13-22(18-24)11-6-4-2;;;;;;/h2*7-9,12-15H,3-6,10-11H2,1-2H3;4*1H;;/q2*-1;;;;;2*+3/p-4
InChIKeyAERHPDFUSCJCFP-UHFFFAOYSA-J
XLogP12.07
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001356.32
LogP ≤ 512.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 24827816?
The IUPAC name of CID 24827816 (CID 24827816) is not available.
What is the SMILES notation for CID 24827816?
The canonical SMILES for CID 24827816 is CCCCN1[C]N(c2[c-]c(N3[C]N(CCCC)C=C3)ccc2)C=C1.CCCCN1[C]N(c2[c-]c(N3[C]N(CCCC)C=C3)ccc2)C=C1.I[Rh+]I.I[Rh+]I.
What is the InChIKey of CID 24827816?
The InChIKey is AERHPDFUSCJCFP-UHFFFAOYSA-J. The full InChI is InChI=1S/2C20H25N4.4HI.2Rh/c2*1-3-5-10-21-12-14-23(17-21)19-8-7-9-20(16-19)24-15-13-22(18-24)11-6-4-2;;;;;;/h2*7-9,12-15H,3-6,10-11H2,1-2H3;4*1H;;/q2*-1;;;;;2*+3/p-4.
What are the key properties of CID 24827816?
CID 24827816 has a molecular weight of 1356.32 g/mol, XLogP of 12.07, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 24827816 is sourced from PubChem (CID 24827816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).