CID 164704152

C47H27N5OPt — CID 164704152

IUPAC—
SMILES[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2cccnc2n2c(-c4ccccc4)cnc32)ccc2c1c1nc(-c3ccccc3)c(-c3ccccc3)n1c1ccccc21
InChIInChI=1S/C47H27N5O.Pt/c1-4-13-30(14-5-1)42-29-49-46-39-27-33(23-25-36(39)38-20-12-26-48-45(38)52(42)46)53-34-22-24-35-37-19-10-11-21-41(37)51-44(32-17-8-3-9-18-32)43(31-15-6-2-7-16-31)50-47(51)40(35)28-34;/h1-26,29H;/q-2;+2
InChIKeyUQQNVQWHXNEREH-UHFFFAOYSA-N
MW872.85 g/mol
LogP11.38
Rot. Bonds5

About CID 164704152

CID 164704152 (PubChem CID 164704152) has the molecular formula C47H27N5OPt and a molecular weight of 872.85 g/mol.

Molecular Properties

Compound NameCID 164704152
PubChem CID164704152
Molecular FormulaC47H27N5OPt
Molecular Weight872.85 g/mol
Exact Mass872.19
IUPAC Name—
SMILES[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2cccnc2n2c(-c4ccccc4)cnc32)ccc2c1c1nc(-c3ccccc3)c(-c3ccccc3)n1c1ccccc21
InChIInChI=1S/C47H27N5O.Pt/c1-4-13-30(14-5-1)42-29-49-46-39-27-33(23-25-36(39)38-20-12-26-48-45(38)52(42)46)53-34-22-24-35-37-19-10-11-21-41(37)51-44(32-17-8-3-9-18-32)43(31-15-6-2-7-16-31)50-47(51)40(35)28-34;/h1-26,29H;/q-2;+2
InChIKeyUQQNVQWHXNEREH-UHFFFAOYSA-N
XLogP11.38
TPSA56.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500872.85
LogP ≤ 511.38
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'}

Analyze CID 164704152 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 164703846
CID 164703846
11-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-2,3-diphenyl-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 164703973
CID 154610649
CID 154610649
CID 163899118
CID 163899118
CID 163782597
CID 163782597
CID 154610613
CID 154610613
CID 163789378
CID 163789378
CID 164703969
CID 164703969
CID 164704085
CID 164704085
CID 164704097
CID 164704097
CID 163785599
CID 163785599
CID 164704052
CID 164704052

Frequently Asked Questions

What is the IUPAC name of CID 164704152?
The IUPAC name of CID 164704152 (CID 164704152) is not available.
What is the SMILES notation for CID 164704152?
The canonical SMILES for CID 164704152 is [Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2cccnc2n2c(-c4ccccc4)cnc32)ccc2c1c1nc(-c3ccccc3)c(-c3ccccc3)n1c1ccccc21.
What is the InChIKey of CID 164704152?
The InChIKey is UQQNVQWHXNEREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H27N5O.Pt/c1-4-13-30(14-5-1)42-29-49-46-39-27-33(23-25-36(39)38-20-12-26-48-45(38)52(42)46)53-34-22-24-35-37-19-10-11-21-41(37)51-44(32-17-8-3-9-18-32)43(31-15-6-2-7-16-31)50-47(51)40(35)28-34;/h1-26,29H;/q-2;+2.
What are the key properties of CID 164704152?
CID 164704152 has a molecular weight of 872.85 g/mol, XLogP of 11.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164704152 is sourced from PubChem (CID 164704152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).