CID 165375144

C59H58N5OPt-3 — CID 165375144

IUPAC—
SMILESCN1[CH-]N2c3[c-]c(Oc4[c-]c5c(cc4)c4cccnc4n5-c4ccccn4)ccc3C3(c4cccc1c42)c1c(cc(C(C)(C)C)cc1C(C)(C)C)-c1cc(C(C)(C)C)cc(C(C)(C)C)c13.[Pt]
InChIInChI=1S/C59H58N5O.Pt/c1-55(2,3)35-28-41-42-29-36(56(4,5)6)31-46(58(10,11)12)52(42)59(51(41)45(30-35)57(7,8)9)43-25-23-38(33-49(43)63-34-62(13)47-20-16-19-44(59)53(47)63)65-37-22-24-39-40-18-17-27-61-54(40)64(48(39)32-37)50-21-14-15-26-60-50;/h14-31,34H,1-13H3;/q-3;
InChIKeyKPHQGXVJASCTSC-UHFFFAOYSA-N
MW1048.22 g/mol
LogP14.54
Rot. Bonds3

About CID 165375144

CID 165375144 (PubChem CID 165375144) has the molecular formula C59H58N5OPt-3 and a molecular weight of 1048.22 g/mol.

Molecular Properties

Compound NameCID 165375144
PubChem CID165375144
Molecular FormulaC59H58N5OPt-3
Molecular Weight1048.22 g/mol
Exact Mass1047.43
IUPAC Name—
SMILESCN1[CH-]N2c3[c-]c(Oc4[c-]c5c(cc4)c4cccnc4n5-c4ccccn4)ccc3C3(c4cccc1c42)c1c(cc(C(C)(C)C)cc1C(C)(C)C)-c1cc(C(C)(C)C)cc(C(C)(C)C)c13.[Pt]
InChIInChI=1S/C59H58N5O.Pt/c1-55(2,3)35-28-41-42-29-36(56(4,5)6)31-46(58(10,11)12)52(42)59(51(41)45(30-35)57(7,8)9)43-25-23-38(33-49(43)63-34-62(13)47-20-16-19-44(59)53(47)63)65-37-22-24-39-40-18-17-27-61-54(40)64(48(39)32-37)50-21-14-15-26-60-50;/h14-31,34H,1-13H3;/q-3;
InChIKeyKPHQGXVJASCTSC-UHFFFAOYSA-N
XLogP14.54
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001048.22
LogP ≤ 514.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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

Frequently Asked Questions

What is the IUPAC name of CID 165375144?
The IUPAC name of CID 165375144 (CID 165375144) is not available.
What is the SMILES notation for CID 165375144?
The canonical SMILES for CID 165375144 is CN1[CH-]N2c3[c-]c(Oc4[c-]c5c(cc4)c4cccnc4n5-c4ccccn4)ccc3C3(c4cccc1c42)c1c(cc(C(C)(C)C)cc1C(C)(C)C)-c1cc(C(C)(C)C)cc(C(C)(C)C)c13.[Pt].
What is the InChIKey of CID 165375144?
The InChIKey is KPHQGXVJASCTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H58N5O.Pt/c1-55(2,3)35-28-41-42-29-36(56(4,5)6)31-46(58(10,11)12)52(42)59(51(41)45(30-35)57(7,8)9)43-25-23-38(33-49(43)63-34-62(13)47-20-16-19-44(59)53(47)63)65-37-22-24-39-40-18-17-27-61-54(40)64(48(39)32-37)50-21-14-15-26-60-50;/h14-31,34H,1-13H3;/q-3;.
What are the key properties of CID 165375144?
CID 165375144 has a molecular weight of 1048.22 g/mol, XLogP of 14.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 165375144 is sourced from PubChem (CID 165375144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).