CID 59399068

C27H24N3Pt- — CID 59399068

IUPAC—
SMILESCC1(C)c2[c-]c(ccc2)-c2cccc(n2)C(C)(C)c2cccc(n2)-c2cccc1n2.[Pt]
InChIInChI=1S/C27H24N3.Pt/c1-26(2)19-10-5-9-18(17-19)20-11-6-15-24(28-20)27(3,4)25-16-8-13-22(30-25)21-12-7-14-23(26)29-21;/h5-16H,1-4H3;/q-1;
InChIKeyAXCOMDCOLMFLSS-UHFFFAOYSA-N
MW585.59 g/mol
LogP5.97
Rot. Bonds

About CID 59399068

CID 59399068 (PubChem CID 59399068) has the molecular formula C27H24N3Pt- and a molecular weight of 585.59 g/mol.

Molecular Properties

Compound NameCID 59399068
PubChem CID59399068
Molecular FormulaC27H24N3Pt-
Molecular Weight585.59 g/mol
Exact Mass585.16
IUPAC Name—
SMILESCC1(C)c2[c-]c(ccc2)-c2cccc(n2)C(C)(C)c2cccc(n2)-c2cccc1n2.[Pt]
InChIInChI=1S/C27H24N3.Pt/c1-26(2)19-10-5-9-18(17-19)20-11-6-15-24(28-20)27(3,4)25-16-8-13-22(30-25)21-12-7-14-23(26)29-21;/h5-16H,1-4H3;/q-1;
InChIKeyAXCOMDCOLMFLSS-UHFFFAOYSA-N
XLogP5.97
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.59
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59399068?
The IUPAC name of CID 59399068 (CID 59399068) is not available.
What is the SMILES notation for CID 59399068?
The canonical SMILES for CID 59399068 is CC1(C)c2[c-]c(ccc2)-c2cccc(n2)C(C)(C)c2cccc(n2)-c2cccc1n2.[Pt].
What is the InChIKey of CID 59399068?
The InChIKey is AXCOMDCOLMFLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N3.Pt/c1-26(2)19-10-5-9-18(17-19)20-11-6-15-24(28-20)27(3,4)25-16-8-13-22(30-25)21-12-7-14-23(26)29-21;/h5-16H,1-4H3;/q-1;.
What are the key properties of CID 59399068?
CID 59399068 has a molecular weight of 585.59 g/mol, XLogP of 5.97, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59399068 is sourced from PubChem (CID 59399068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).