CID 58756157

C39H16F10N10Pt2 — CID 58756157

IUPAC—
SMILESFc1c[c-]c(-c2cccc(C(c3cccc(-c4[c-]cc(F)cc4F)n3)(c3cccc(-n4[c-]nc(C(F)(F)F)n4)n3)c3cccc(-n4[c-]nc(C(F)(F)F)n4)n3)n2)c(F)c1.[Pt+2].[Pt+2]
InChIInChI=1S/C39H16F10N10.2Pt/c40-21-13-15-23(25(42)17-21)27-5-1-7-29(52-27)37(30-8-2-6-28(53-30)24-16-14-22(41)18-26(24)43,31-9-3-11-33(54-31)58-19-50-35(56-58)38(44,45)46)32-10-4-12-34(55-32)59-20-51-36(57-59)39(47,48)49;;/h1-14,17-18H;;/q-4;2*+2
InChIKeyXAXVUUIVFFNWJX-UHFFFAOYSA-N
MW1204.76 g/mol
LogP7.93
Rot. Bonds8

About CID 58756157

CID 58756157 (PubChem CID 58756157) has the molecular formula C39H16F10N10Pt2 and a molecular weight of 1204.76 g/mol.

Molecular Properties

Compound NameCID 58756157
PubChem CID58756157
Molecular FormulaC39H16F10N10Pt2
Molecular Weight1204.76 g/mol
Exact Mass1204.07
IUPAC Name—
SMILESFc1c[c-]c(-c2cccc(C(c3cccc(-c4[c-]cc(F)cc4F)n3)(c3cccc(-n4[c-]nc(C(F)(F)F)n4)n3)c3cccc(-n4[c-]nc(C(F)(F)F)n4)n3)n2)c(F)c1.[Pt+2].[Pt+2]
InChIInChI=1S/C39H16F10N10.2Pt/c40-21-13-15-23(25(42)17-21)27-5-1-7-29(52-27)37(30-8-2-6-28(53-30)24-16-14-22(41)18-26(24)43,31-9-3-11-33(54-31)58-19-50-35(56-58)38(44,45)46)32-10-4-12-34(55-32)59-20-51-36(57-59)39(47,48)49;;/h1-14,17-18H;;/q-4;2*+2
InChIKeyXAXVUUIVFFNWJX-UHFFFAOYSA-N
XLogP7.93
TPSA112.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001204.76
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 58756157?
The IUPAC name of CID 58756157 (CID 58756157) is not available.
What is the SMILES notation for CID 58756157?
The canonical SMILES for CID 58756157 is Fc1c[c-]c(-c2cccc(C(c3cccc(-c4[c-]cc(F)cc4F)n3)(c3cccc(-n4[c-]nc(C(F)(F)F)n4)n3)c3cccc(-n4[c-]nc(C(F)(F)F)n4)n3)n2)c(F)c1.[Pt+2].[Pt+2].
What is the InChIKey of CID 58756157?
The InChIKey is XAXVUUIVFFNWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H16F10N10.2Pt/c40-21-13-15-23(25(42)17-21)27-5-1-7-29(52-27)37(30-8-2-6-28(53-30)24-16-14-22(41)18-26(24)43,31-9-3-11-33(54-31)58-19-50-35(56-58)38(44,45)46)32-10-4-12-34(55-32)59-20-51-36(57-59)39(47,48)49;;/h1-14,17-18H;;/q-4;2*+2.
What are the key properties of CID 58756157?
CID 58756157 has a molecular weight of 1204.76 g/mol, XLogP of 7.93, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58756157 is sourced from PubChem (CID 58756157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).