CID 165375211

C56H42N4OPt-2 — CID 165375211

IUPAC—
SMILESCC(C)c1cccc2c1C1(c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c3-n3[c-][n+](C)c4cccc1c43)c1cc(-c3ccccc3)ccc1C2(C)C.[Pt]
InChIInChI=1S/C56H42N4O.Pt/c1-35(2)40-18-13-19-45-53(40)56(47-31-37(36-15-7-6-8-16-36)24-28-43(47)55(45,3)4)44-29-26-39(33-51(44)59-34-58(5)49-22-14-20-46(56)54(49)59)61-38-25-27-42-41-17-9-10-21-48(41)60(50(42)32-38)52-23-11-12-30-57-52;/h6-31,35H,1-5H3;/q-2;
InChIKeyKHWXIYHIFQRHOR-UHFFFAOYSA-N
MW982.06 g/mol
LogP12.26
Rot. Bonds5

About CID 165375211

CID 165375211 (PubChem CID 165375211) has the molecular formula C56H42N4OPt-2 and a molecular weight of 982.06 g/mol.

Molecular Properties

Compound NameCID 165375211
PubChem CID165375211
Molecular FormulaC56H42N4OPt-2
Molecular Weight982.06 g/mol
Exact Mass981.30
IUPAC Name—
SMILESCC(C)c1cccc2c1C1(c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c3-n3[c-][n+](C)c4cccc1c43)c1cc(-c3ccccc3)ccc1C2(C)C.[Pt]
InChIInChI=1S/C56H42N4O.Pt/c1-35(2)40-18-13-19-45-53(40)56(47-31-37(36-15-7-6-8-16-36)24-28-43(47)55(45,3)4)44-29-26-39(33-51(44)59-34-58(5)49-22-14-20-46(56)54(49)59)61-38-25-27-42-41-17-9-10-21-48(41)60(50(42)32-38)52-23-11-12-30-57-52;/h6-31,35H,1-5H3;/q-2;
InChIKeyKHWXIYHIFQRHOR-UHFFFAOYSA-N
XLogP12.26
TPSA35.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500982.06
LogP ≤ 512.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze CID 165375211 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 165374962
CID 165374962
CID 165375108
CID 165375108
CID 165374944
CID 165374944
CID 165375055
CID 165375055
CID 165374905
CID 165374905
CID 165375106
CID 165375106
CID 165375176
CID 165375176
CID 165375006
CID 165375006
CID 165375167
CID 165375167
CID 165375257
CID 165375257
CID 165374860
CID 165374860
CID 155616496
CID 155616496

Frequently Asked Questions

What is the IUPAC name of CID 165375211?
The IUPAC name of CID 165375211 (CID 165375211) is not available.
What is the SMILES notation for CID 165375211?
The canonical SMILES for CID 165375211 is CC(C)c1cccc2c1C1(c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c3-n3[c-][n+](C)c4cccc1c43)c1cc(-c3ccccc3)ccc1C2(C)C.[Pt].
What is the InChIKey of CID 165375211?
The InChIKey is KHWXIYHIFQRHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H42N4O.Pt/c1-35(2)40-18-13-19-45-53(40)56(47-31-37(36-15-7-6-8-16-36)24-28-43(47)55(45,3)4)44-29-26-39(33-51(44)59-34-58(5)49-22-14-20-46(56)54(49)59)61-38-25-27-42-41-17-9-10-21-48(41)60(50(42)32-38)52-23-11-12-30-57-52;/h6-31,35H,1-5H3;/q-2;.
What are the key properties of CID 165375211?
CID 165375211 has a molecular weight of 982.06 g/mol, XLogP of 12.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 165375211 is sourced from PubChem (CID 165375211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).