CID 165374774

C63H65N4OPt-3 — CID 165374774

IUPAC—
SMILESCC(C)(C)c1cc2c(c(C(C)(C)C)c1)C1(c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c3N3[CH-]N(C(C)(C)C)c4cccc1c43)c1c-2cc(C(C)(C)C)cc1C(C)(C)C.[Pt]
InChIInChI=1S/C63H65N4O.Pt/c1-58(2,3)38-31-44-45-32-39(59(4,5)6)34-49(61(10,11)12)56(45)63(55(44)48(33-38)60(7,8)9)46-29-27-41(36-53(46)65-37-66(62(13,14)15)51-24-20-22-47(63)57(51)65)68-40-26-28-43-42-21-16-17-23-50(42)67(52(43)35-40)54-25-18-19-30-64-54;/h16-34,37H,1-15H3;/q-3;
InChIKeyCMKMMWMWKHMLTI-UHFFFAOYSA-N
MW1089.32 g/mol
LogP16.31
Rot. Bonds3

About CID 165374774

CID 165374774 (PubChem CID 165374774) has the molecular formula C63H65N4OPt-3 and a molecular weight of 1089.32 g/mol.

Molecular Properties

Compound NameCID 165374774
PubChem CID165374774
Molecular FormulaC63H65N4OPt-3
Molecular Weight1089.32 g/mol
Exact Mass1088.48
IUPAC Name—
SMILESCC(C)(C)c1cc2c(c(C(C)(C)C)c1)C1(c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c3N3[CH-]N(C(C)(C)C)c4cccc1c43)c1c-2cc(C(C)(C)C)cc1C(C)(C)C.[Pt]
InChIInChI=1S/C63H65N4O.Pt/c1-58(2,3)38-31-44-45-32-39(59(4,5)6)34-49(61(10,11)12)56(45)63(55(44)48(33-38)60(7,8)9)46-29-27-41(36-53(46)65-37-66(62(13,14)15)51-24-20-22-47(63)57(51)65)68-40-26-28-43-42-21-16-17-23-50(42)67(52(43)35-40)54-25-18-19-30-64-54;/h16-34,37H,1-15H3;/q-3;
InChIKeyCMKMMWMWKHMLTI-UHFFFAOYSA-N
XLogP16.31
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001089.32
LogP ≤ 516.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze CID 165374774 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 165375161
CID 165375161
CID 165375073
CID 165375073
CID 165375144
CID 165375144
CID 165375274
CID 165375274
CID 165374956
CID 165374956
CID 165374942
CID 165374942
CID 165374860
CID 165374860
CID 155616486
CID 155616486
CID 165374844
CID 165374844
CID 165375006
CID 165375006
CID 165375167
CID 165375167
CID 165374747
CID 165374747

Frequently Asked Questions

What is the IUPAC name of CID 165374774?
The IUPAC name of CID 165374774 (CID 165374774) is not available.
What is the SMILES notation for CID 165374774?
The canonical SMILES for CID 165374774 is CC(C)(C)c1cc2c(c(C(C)(C)C)c1)C1(c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c3N3[CH-]N(C(C)(C)C)c4cccc1c43)c1c-2cc(C(C)(C)C)cc1C(C)(C)C.[Pt].
What is the InChIKey of CID 165374774?
The InChIKey is CMKMMWMWKHMLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H65N4O.Pt/c1-58(2,3)38-31-44-45-32-39(59(4,5)6)34-49(61(10,11)12)56(45)63(55(44)48(33-38)60(7,8)9)46-29-27-41(36-53(46)65-37-66(62(13,14)15)51-24-20-22-47(63)57(51)65)68-40-26-28-43-42-21-16-17-23-50(42)67(52(43)35-40)54-25-18-19-30-64-54;/h16-34,37H,1-15H3;/q-3;.
What are the key properties of CID 165374774?
CID 165374774 has a molecular weight of 1089.32 g/mol, XLogP of 16.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 165374774 is sourced from PubChem (CID 165374774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).