CID 165374860

C66H62N4OPt-2 — CID 165374860

IUPAC—
SMILESCc1ccc(-[n+]2[c-]n3c4c(cccc42)C2(c4ccc(Oc5[c-]c6c(cc5)c5ccccc5n6-c5ccccn5)[c-]c4-3)c3c(cc(C(C)(C)C)cc3C(C)(C)C)-c3cc(C(C)(C)C)cc(C(C)(C)C)c32)cc1.[Pt]
InChIInChI=1S/C66H62N4O.Pt/c1-40-24-26-43(27-25-40)68-39-69-57-38-45(71-44-28-30-47-46-19-14-15-21-54(46)70(56(47)37-44)58-23-16-17-32-67-58)29-31-50(57)66(51-20-18-22-55(68)61(51)69)59-48(33-41(62(2,3)4)35-52(59)64(8,9)10)49-34-42(63(5,6)7)36-53(60(49)66)65(11,12)13;/h14-36H,1-13H3;/q-2;
InChIKeyRNYOYDKCLYCPKY-UHFFFAOYSA-N
MW1122.33 g/mol
LogP15.76
Rot. Bonds4

About CID 165374860

CID 165374860 (PubChem CID 165374860) has the molecular formula C66H62N4OPt-2 and a molecular weight of 1122.33 g/mol.

Molecular Properties

Compound NameCID 165374860
PubChem CID165374860
Molecular FormulaC66H62N4OPt-2
Molecular Weight1122.33 g/mol
Exact Mass1121.46
IUPAC Name—
SMILESCc1ccc(-[n+]2[c-]n3c4c(cccc42)C2(c4ccc(Oc5[c-]c6c(cc5)c5ccccc5n6-c5ccccn5)[c-]c4-3)c3c(cc(C(C)(C)C)cc3C(C)(C)C)-c3cc(C(C)(C)C)cc(C(C)(C)C)c32)cc1.[Pt]
InChIInChI=1S/C66H62N4O.Pt/c1-40-24-26-43(27-25-40)68-39-69-57-38-45(71-44-28-30-47-46-19-14-15-21-54(46)70(56(47)37-44)58-23-16-17-32-67-58)29-31-50(57)66(51-20-18-22-55(68)61(51)69)59-48(33-41(62(2,3)4)35-52(59)64(8,9)10)49-34-42(63(5,6)7)36-53(60(49)66)65(11,12)13;/h14-36H,1-13H3;/q-2;
InChIKeyRNYOYDKCLYCPKY-UHFFFAOYSA-N
XLogP15.76
TPSA35.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001122.33
LogP ≤ 515.76
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'}

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Related Compounds

CID 165375006
CID 165375006
CID 165375167
CID 165375167
CID 165375257
CID 165375257
CID 165375108
CID 165375108
CID 165375055
CID 165375055
CID 165374962
CID 165374962
CID 165374774
CID 165374774
CID 165375161
CID 165375161
CID 155616496
CID 155616496
CID 165374944
CID 165374944
CID 165374905
CID 165374905
CID 165375073
CID 165375073

Frequently Asked Questions

What is the IUPAC name of CID 165374860?
The IUPAC name of CID 165374860 (CID 165374860) is not available.
What is the SMILES notation for CID 165374860?
The canonical SMILES for CID 165374860 is Cc1ccc(-[n+]2[c-]n3c4c(cccc42)C2(c4ccc(Oc5[c-]c6c(cc5)c5ccccc5n6-c5ccccn5)[c-]c4-3)c3c(cc(C(C)(C)C)cc3C(C)(C)C)-c3cc(C(C)(C)C)cc(C(C)(C)C)c32)cc1.[Pt].
What is the InChIKey of CID 165374860?
The InChIKey is RNYOYDKCLYCPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H62N4O.Pt/c1-40-24-26-43(27-25-40)68-39-69-57-38-45(71-44-28-30-47-46-19-14-15-21-54(46)70(56(47)37-44)58-23-16-17-32-67-58)29-31-50(57)66(51-20-18-22-55(68)61(51)69)59-48(33-41(62(2,3)4)35-52(59)64(8,9)10)49-34-42(63(5,6)7)36-53(60(49)66)65(11,12)13;/h14-36H,1-13H3;/q-2;.
What are the key properties of CID 165374860?
CID 165374860 has a molecular weight of 1122.33 g/mol, XLogP of 15.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 165374860 is sourced from PubChem (CID 165374860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).