CID 165375161

C73H77N4OPt-3 — CID 165375161

IUPAC—
SMILESCC(C)(C)c1cc2c(c(C(C)(C)C)c1)C1(c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c3N3[CH-]N(c4c(C(C)(C)C)cccc4C(C)(C)C)c4cccc1c43)c1c-2cc(C(C)(C)C)cc1C(C)(C)C.[Pt]
InChIInChI=1S/C73H77N4O.Pt/c1-67(2,3)44-37-50-51-38-45(68(4,5)6)40-57(72(16,17)18)64(51)73(63(50)56(39-44)71(13,14)15)52-35-33-47(78-46-32-34-49-48-25-19-20-29-58(48)77(60(49)41-46)62-31-21-22-36-74-62)42-61(52)76-43-75(59-30-24-28-55(73)66(59)76)65-53(69(7,8)9)26-23-27-54(65)70(10,11)12;/h19-40,43H,1-18H3;/q-3;
InChIKeyNRQVTEFQELROID-UHFFFAOYSA-N
MW1221.52 g/mol
LogP19.44
Rot. Bonds4

About CID 165375161

CID 165375161 (PubChem CID 165375161) has the molecular formula C73H77N4OPt-3 and a molecular weight of 1221.52 g/mol.

Molecular Properties

Compound NameCID 165375161
PubChem CID165375161
Molecular FormulaC73H77N4OPt-3
Molecular Weight1221.52 g/mol
Exact Mass1220.58
IUPAC Name—
SMILESCC(C)(C)c1cc2c(c(C(C)(C)C)c1)C1(c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c3N3[CH-]N(c4c(C(C)(C)C)cccc4C(C)(C)C)c4cccc1c43)c1c-2cc(C(C)(C)C)cc1C(C)(C)C.[Pt]
InChIInChI=1S/C73H77N4O.Pt/c1-67(2,3)44-37-50-51-38-45(68(4,5)6)40-57(72(16,17)18)64(51)73(63(50)56(39-44)71(13,14)15)52-35-33-47(78-46-32-34-49-48-25-19-20-29-58(48)77(60(49)41-46)62-31-21-22-36-74-62)42-61(52)76-43-75(59-30-24-28-55(73)66(59)76)65-53(69(7,8)9)26-23-27-54(65)70(10,11)12;/h19-40,43H,1-18H3;/q-3;
InChIKeyNRQVTEFQELROID-UHFFFAOYSA-N
XLogP19.44
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001221.52
LogP ≤ 519.44
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 165374774
CID 165374774
CID 165375073
CID 165375073
CID 165375144
CID 165375144
CID 165375274
CID 165375274
CID 165374956
CID 165374956
CID 155616486
CID 155616486
CID 165374942
CID 165374942
CID 165374860
CID 165374860
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 165375161?
The IUPAC name of CID 165375161 (CID 165375161) is not available.
What is the SMILES notation for CID 165375161?
The canonical SMILES for CID 165375161 is CC(C)(C)c1cc2c(c(C(C)(C)C)c1)C1(c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c3N3[CH-]N(c4c(C(C)(C)C)cccc4C(C)(C)C)c4cccc1c43)c1c-2cc(C(C)(C)C)cc1C(C)(C)C.[Pt].
What is the InChIKey of CID 165375161?
The InChIKey is NRQVTEFQELROID-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H77N4O.Pt/c1-67(2,3)44-37-50-51-38-45(68(4,5)6)40-57(72(16,17)18)64(51)73(63(50)56(39-44)71(13,14)15)52-35-33-47(78-46-32-34-49-48-25-19-20-29-58(48)77(60(49)41-46)62-31-21-22-36-74-62)42-61(52)76-43-75(59-30-24-28-55(73)66(59)76)65-53(69(7,8)9)26-23-27-54(65)70(10,11)12;/h19-40,43H,1-18H3;/q-3;.
What are the key properties of CID 165375161?
CID 165375161 has a molecular weight of 1221.52 g/mol, XLogP of 19.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 165375161 is sourced from PubChem (CID 165375161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).