CID 177075265

C70H65N4OPt-3 — CID 177075265

IUPAC—
SMILES[2H]C([2H])(c1cccc2c3cccc4c3n(c3c(-c5cc(C(C)(C)C)cc(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])c5)cccc3c3ccccc3c12)[CH-]N4c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)ccc1)C(C)C.[Pt]
InChIInChI=1S/C70H65N4O.Pt/c1-44(2)36-45-20-16-27-58-60-29-19-31-62-67(60)73(66-53(26-18-28-59(66)54-23-12-13-25-57(54)65(45)58)46-37-48(69(6,7)8)39-49(38-46)70(9,10)11)43-72(62)50-21-17-22-51(41-50)75-52-32-33-56-55-24-14-15-30-61(55)74(63(56)42-52)64-40-47(34-35-71-64)68(3,4)5;/h12-35,37-40,43-44H,36H2,1-11H3;/q-3;/i6D3,7D3,8D3,36D2;
InChIKeySGOITUJYJBSMFQ-NBQIKPHASA-N
MW1184.46 g/mol
LogP18.98
Rot. Bonds7

About CID 177075265

CID 177075265 (PubChem CID 177075265) has the molecular formula C70H65N4OPt-3 and a molecular weight of 1184.46 g/mol.

Molecular Properties

Compound NameCID 177075265
PubChem CID177075265
Molecular FormulaC70H65N4OPt-3
Molecular Weight1184.46 g/mol
Exact Mass1183.55
IUPAC Name—
SMILES[2H]C([2H])(c1cccc2c3cccc4c3n(c3c(-c5cc(C(C)(C)C)cc(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])c5)cccc3c3ccccc3c12)[CH-]N4c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)ccc1)C(C)C.[Pt]
InChIInChI=1S/C70H65N4O.Pt/c1-44(2)36-45-20-16-27-58-60-29-19-31-62-67(60)73(66-53(26-18-28-59(66)54-23-12-13-25-57(54)65(45)58)46-37-48(69(6,7)8)39-49(38-46)70(9,10)11)43-72(62)50-21-17-22-51(41-50)75-52-32-33-56-55-24-14-15-30-61(55)74(63(56)42-52)64-40-47(34-35-71-64)68(3,4)5;/h12-35,37-40,43-44H,36H2,1-11H3;/q-3;/i6D3,7D3,8D3,36D2;
InChIKeySGOITUJYJBSMFQ-NBQIKPHASA-N
XLogP18.98
TPSA35.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001184.46
LogP ≤ 518.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 177075898
CID 177075898
CID 177075965
CID 177075965
CID 177075485
CID 177075485
CID 177075241
CID 177075241
CID 177075780
CID 177075780
CID 177075725
CID 177075725
CID 177075605
CID 177075605
CID 177075894
CID 177075894
CID 177075804
CID 177075804
CID 177075493
CID 177075493
CID 177075424
CID 177075424
CID 177075617
CID 177075617

Frequently Asked Questions

What is the IUPAC name of CID 177075265?
The IUPAC name of CID 177075265 (CID 177075265) is not available.
What is the SMILES notation for CID 177075265?
The canonical SMILES for CID 177075265 is [2H]C([2H])(c1cccc2c3cccc4c3n(c3c(-c5cc(C(C)(C)C)cc(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])c5)cccc3c3ccccc3c12)[CH-]N4c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)ccc1)C(C)C.[Pt].
What is the InChIKey of CID 177075265?
The InChIKey is SGOITUJYJBSMFQ-NBQIKPHASA-N. The full InChI is InChI=1S/C70H65N4O.Pt/c1-44(2)36-45-20-16-27-58-60-29-19-31-62-67(60)73(66-53(26-18-28-59(66)54-23-12-13-25-57(54)65(45)58)46-37-48(69(6,7)8)39-49(38-46)70(9,10)11)43-72(62)50-21-17-22-51(41-50)75-52-32-33-56-55-24-14-15-30-61(55)74(63(56)42-52)64-40-47(34-35-71-64)68(3,4)5;/h12-35,37-40,43-44H,36H2,1-11H3;/q-3;/i6D3,7D3,8D3,36D2;.
What are the key properties of CID 177075265?
CID 177075265 has a molecular weight of 1184.46 g/mol, XLogP of 18.98, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177075265 is sourced from PubChem (CID 177075265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).