CID 177075407

C69H65N4OPtSi-3 — CID 177075407

IUPAC—
SMILES[2H]C([2H])([2H])C(c1cc(-c2cccc3c4ccccc4c4ccccc4c4cccc5c4n(c23)[CH-]N5c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)cc([Si](C)(C)C)c2)cc(C(C)(C)C)c1)(C([2H])([2H])[2H])C([2H])([2H])[2H].[Pt]
InChIInChI=1S/C69H65N4OSi.Pt/c1-67(2,3)45-33-34-70-64(38-45)73-61-29-18-17-25-57(61)58-32-31-49(42-63(58)73)74-50-39-48(40-51(41-50)75(10,11)12)71-43-72-65-52(44-35-46(68(4,5)6)37-47(36-44)69(7,8)9)26-19-27-59(65)55-23-15-13-21-53(55)54-22-14-16-24-56(54)60-28-20-30-62(71)66(60)72;/h13-38,40-41,43H,1-12H3;/q-3;/i4D3,5D3,6D3;
InChIKeyLCNJNSUCBTVWMM-SBYXYGIXSA-N
MW1198.52 g/mol
LogP18.33
Rot. Bonds6

About CID 177075407

CID 177075407 (PubChem CID 177075407) has the molecular formula C69H65N4OPtSi-3 and a molecular weight of 1198.52 g/mol.

Molecular Properties

Compound NameCID 177075407
PubChem CID177075407
Molecular FormulaC69H65N4OPtSi-3
Molecular Weight1198.52 g/mol
Exact Mass1197.52
IUPAC Name—
SMILES[2H]C([2H])([2H])C(c1cc(-c2cccc3c4ccccc4c4ccccc4c4cccc5c4n(c23)[CH-]N5c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)cc([Si](C)(C)C)c2)cc(C(C)(C)C)c1)(C([2H])([2H])[2H])C([2H])([2H])[2H].[Pt]
InChIInChI=1S/C69H65N4OSi.Pt/c1-67(2,3)45-33-34-70-64(38-45)73-61-29-18-17-25-57(61)58-32-31-49(42-63(58)73)74-50-39-48(40-51(41-50)75(10,11)12)71-43-72-65-52(44-35-46(68(4,5)6)37-47(36-44)69(7,8)9)26-19-27-59(65)55-23-15-13-21-53(55)54-22-14-16-24-56(54)60-28-20-30-62(71)66(60)72;/h13-38,40-41,43H,1-12H3;/q-3;/i4D3,5D3,6D3;
InChIKeyLCNJNSUCBTVWMM-SBYXYGIXSA-N
XLogP18.33
TPSA35.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001198.52
LogP ≤ 518.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 177075241
CID 177075241
CID 177075780
CID 177075780
CID 177075725
CID 177075725
CID 177075605
CID 177075605
CID 177075894
CID 177075894
CID 177075493
CID 177075493
CID 177075804
CID 177075804
CID 177075509
CID 177075509
CID 177075424
CID 177075424
CID 177075485
CID 177075485
CID 177075275
CID 177075275
CID 177075965
CID 177075965

Frequently Asked Questions

What is the IUPAC name of CID 177075407?
The IUPAC name of CID 177075407 (CID 177075407) is not available.
What is the SMILES notation for CID 177075407?
The canonical SMILES for CID 177075407 is [2H]C([2H])([2H])C(c1cc(-c2cccc3c4ccccc4c4ccccc4c4cccc5c4n(c23)[CH-]N5c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)cc([Si](C)(C)C)c2)cc(C(C)(C)C)c1)(C([2H])([2H])[2H])C([2H])([2H])[2H].[Pt].
What is the InChIKey of CID 177075407?
The InChIKey is LCNJNSUCBTVWMM-SBYXYGIXSA-N. The full InChI is InChI=1S/C69H65N4OSi.Pt/c1-67(2,3)45-33-34-70-64(38-45)73-61-29-18-17-25-57(61)58-32-31-49(42-63(58)73)74-50-39-48(40-51(41-50)75(10,11)12)71-43-72-65-52(44-35-46(68(4,5)6)37-47(36-44)69(7,8)9)26-19-27-59(65)55-23-15-13-21-53(55)54-22-14-16-24-56(54)60-28-20-30-62(71)66(60)72;/h13-38,40-41,43H,1-12H3;/q-3;/i4D3,5D3,6D3;.
What are the key properties of CID 177075407?
CID 177075407 has a molecular weight of 1198.52 g/mol, XLogP of 18.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177075407 is sourced from PubChem (CID 177075407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).