CID 154611572

C37H23N5OPt — CID 154611572

IUPAC—
SMILESCc1cccc(C)c1-c1ccc2c3ccc(Oc4[c-]c5c(cc4)c4cccnc4n4ccnc54)[c-]c3c3nccn3c2c1.[Pt+2]
InChIInChI=1S/C37H23N5O.Pt/c1-22-5-3-6-23(2)34(22)24-8-11-29-27-12-9-25(20-31(27)36-39-15-17-41(36)33(29)19-24)43-26-10-13-28-30-7-4-14-38-35(30)42-18-16-40-37(42)32(28)21-26;/h3-19H,1-2H3;/q-2;+2
InChIKeyRSDOJQRAZICRDK-UHFFFAOYSA-N
MW748.70 g/mol
LogP8.66
Rot. Bonds3

About CID 154611572

CID 154611572 (PubChem CID 154611572) has the molecular formula C37H23N5OPt and a molecular weight of 748.70 g/mol.

Molecular Properties

Compound NameCID 154611572
PubChem CID154611572
Molecular FormulaC37H23N5OPt
Molecular Weight748.70 g/mol
Exact Mass748.16
IUPAC Name—
SMILESCc1cccc(C)c1-c1ccc2c3ccc(Oc4[c-]c5c(cc4)c4cccnc4n4ccnc54)[c-]c3c3nccn3c2c1.[Pt+2]
InChIInChI=1S/C37H23N5O.Pt/c1-22-5-3-6-23(2)34(22)24-8-11-29-27-12-9-25(20-31(27)36-39-15-17-41(36)33(29)19-24)43-26-10-13-28-30-7-4-14-38-35(30)42-18-16-40-37(42)32(28)21-26;/h3-19H,1-2H3;/q-2;+2
InChIKeyRSDOJQRAZICRDK-UHFFFAOYSA-N
XLogP8.66
TPSA56.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.70
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 154611572?
The IUPAC name of CID 154611572 (CID 154611572) is not available.
What is the SMILES notation for CID 154611572?
The canonical SMILES for CID 154611572 is Cc1cccc(C)c1-c1ccc2c3ccc(Oc4[c-]c5c(cc4)c4cccnc4n4ccnc54)[c-]c3c3nccn3c2c1.[Pt+2].
What is the InChIKey of CID 154611572?
The InChIKey is RSDOJQRAZICRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N5O.Pt/c1-22-5-3-6-23(2)34(22)24-8-11-29-27-12-9-25(20-31(27)36-39-15-17-41(36)33(29)19-24)43-26-10-13-28-30-7-4-14-38-35(30)42-18-16-40-37(42)32(28)21-26;/h3-19H,1-2H3;/q-2;+2.
What are the key properties of CID 154611572?
CID 154611572 has a molecular weight of 748.70 g/mol, XLogP of 8.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154611572 is sourced from PubChem (CID 154611572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).