CID 165374844

C51H43N6OPt-3 — CID 165374844

IUPAC—
SMILESCN(C)c1ccc2c(c1)C1(c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c3N3[CH-]N(C)c4cccc1c43)c1cc(N(C)C)ccc1C2(C)C.[Pt]
InChIInChI=1S/C51H43N6O.Pt/c1-50(2)38-23-18-32(53(3)4)27-42(38)51(43-28-33(54(5)6)19-24-39(43)50)40-25-21-35(30-47(40)56-31-55(7)45-16-12-14-41(51)49(45)56)58-34-20-22-37-36-13-8-9-15-44(36)57(46(37)29-34)48-17-10-11-26-52-48;/h8-28,31H,1-7H3;/q-3;
InChIKeyRZDBLDUMUGSJIN-UHFFFAOYSA-N
MW951.02 g/mol
LogP10.74
Rot. Bonds5

About CID 165374844

CID 165374844 (PubChem CID 165374844) has the molecular formula C51H43N6OPt-3 and a molecular weight of 951.02 g/mol.

Molecular Properties

Compound NameCID 165374844
PubChem CID165374844
Molecular FormulaC51H43N6OPt-3
Molecular Weight951.02 g/mol
Exact Mass950.32
IUPAC Name—
SMILESCN(C)c1ccc2c(c1)C1(c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c3N3[CH-]N(C)c4cccc1c43)c1cc(N(C)C)ccc1C2(C)C.[Pt]
InChIInChI=1S/C51H43N6O.Pt/c1-50(2)38-23-18-32(53(3)4)27-42(38)51(43-28-33(54(5)6)19-24-39(43)50)40-25-21-35(30-47(40)56-31-55(7)45-16-12-14-41(51)49(45)56)58-34-20-22-37-36-13-8-9-15-44(36)57(46(37)29-34)48-17-10-11-26-52-48;/h8-28,31H,1-7H3;/q-3;
InChIKeyRZDBLDUMUGSJIN-UHFFFAOYSA-N
XLogP10.74
TPSA40.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500951.02
LogP ≤ 510.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

CID 165374956
CID 165374956
CID 155616486
CID 155616486
CID 165375073
CID 165375073
CID 165375144
CID 165375144
CID 165374774
CID 165374774
CID 165375161
CID 165375161
CID 155616712
CID 155616712
CID 165375274
CID 165375274
CID 165374942
CID 165374942
CID 165374962
CID 165374962
CID 159650736
CID 159650736
2-[3-(3,5-dimethyl-2H-benzimidazol-2-id-1-yl)-5-methylbenzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
CID 155606575

Frequently Asked Questions

What is the IUPAC name of CID 165374844?
The IUPAC name of CID 165374844 (CID 165374844) is not available.
What is the SMILES notation for CID 165374844?
The canonical SMILES for CID 165374844 is CN(C)c1ccc2c(c1)C1(c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c3N3[CH-]N(C)c4cccc1c43)c1cc(N(C)C)ccc1C2(C)C.[Pt].
What is the InChIKey of CID 165374844?
The InChIKey is RZDBLDUMUGSJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H43N6O.Pt/c1-50(2)38-23-18-32(53(3)4)27-42(38)51(43-28-33(54(5)6)19-24-39(43)50)40-25-21-35(30-47(40)56-31-55(7)45-16-12-14-41(51)49(45)56)58-34-20-22-37-36-13-8-9-15-44(36)57(46(37)29-34)48-17-10-11-26-52-48;/h8-28,31H,1-7H3;/q-3;.
What are the key properties of CID 165374844?
CID 165374844 has a molecular weight of 951.02 g/mol, XLogP of 10.74, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 165374844 is sourced from PubChem (CID 165374844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).