CID 157195548

C62H38Cl4K2N12O2Pt2 — CID 157195548

IUPAC—
SMILESCc1[c-]c2c3nc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc3c3ccncc3n2n1.Cc1cc2c3nc(Oc4ccc5c6ccccc6n(-c6ccccn6)c5c4)ccc3c3ccncc3n2n1.Cl[Pt](Cl)(Cl)Cl.[K][K].[Pt+2]
InChIInChI=1S/C31H20N6O.C31H18N6O.4ClH.2K.2Pt/c2*1-19-16-27-31-24(23-13-15-32-18-28(23)37(27)35-19)11-12-30(34-31)38-20-9-10-22-21-6-2-3-7-25(21)36(26(22)17-20)29-8-4-5-14-33-29;;;;;;;;/h2-18H,1H3;2-15,18H,1H3;4*1H;;;;/q;-2;;;;;;;+2;+4/p-4
InChIKeyZLXAOVFYCGZWHB-UHFFFAOYSA-J
MW1593.23 g/mol
LogP15.64
Rot. Bonds6

About CID 157195548

CID 157195548 (PubChem CID 157195548) has the molecular formula C62H38Cl4K2N12O2Pt2 and a molecular weight of 1593.23 g/mol.

Molecular Properties

Compound NameCID 157195548
PubChem CID157195548
Molecular FormulaC62H38Cl4K2N12O2Pt2
Molecular Weight1593.23 g/mol
Exact Mass1590.06
IUPAC Name—
SMILESCc1[c-]c2c3nc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc3c3ccncc3n2n1.Cc1cc2c3nc(Oc4ccc5c6ccccc6n(-c6ccccn6)c5c4)ccc3c3ccncc3n2n1.Cl[Pt](Cl)(Cl)Cl.[K][K].[Pt+2]
InChIInChI=1S/C31H20N6O.C31H18N6O.4ClH.2K.2Pt/c2*1-19-16-27-31-24(23-13-15-32-18-28(23)37(27)35-19)11-12-30(34-31)38-20-9-10-22-21-6-2-3-7-25(21)36(26(22)17-20)29-8-4-5-14-33-29;;;;;;;;/h2-18H,1H3;2-15,18H,1H3;4*1H;;;;/q;-2;;;;;;;+2;+4/p-4
InChIKeyZLXAOVFYCGZWHB-UHFFFAOYSA-J
XLogP15.64
TPSA140.26 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001593.23
LogP ≤ 515.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 157195548?
The IUPAC name of CID 157195548 (CID 157195548) is not available.
What is the SMILES notation for CID 157195548?
The canonical SMILES for CID 157195548 is Cc1[c-]c2c3nc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc3c3ccncc3n2n1.Cc1cc2c3nc(Oc4ccc5c6ccccc6n(-c6ccccn6)c5c4)ccc3c3ccncc3n2n1.Cl[Pt](Cl)(Cl)Cl.[K][K].[Pt+2].
What is the InChIKey of CID 157195548?
The InChIKey is ZLXAOVFYCGZWHB-UHFFFAOYSA-J. The full InChI is InChI=1S/C31H20N6O.C31H18N6O.4ClH.2K.2Pt/c2*1-19-16-27-31-24(23-13-15-32-18-28(23)37(27)35-19)11-12-30(34-31)38-20-9-10-22-21-6-2-3-7-25(21)36(26(22)17-20)29-8-4-5-14-33-29;;;;;;;;/h2-18H,1H3;2-15,18H,1H3;4*1H;;;;/q;-2;;;;;;;+2;+4/p-4.
What are the key properties of CID 157195548?
CID 157195548 has a molecular weight of 1593.23 g/mol, XLogP of 15.64, 6 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157195548 is sourced from PubChem (CID 157195548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).