CID 170934055

C57H59N3O2Pt — CID 170934055

IUPAC—
SMILES[2H]C1([2H])c2c(ccc(C)c2C)[C@]2(C)OC(c3[c-]c(Oc4[c-]c5c(cc4C)C(C)(C)c4cc(C(C)(C)C)cc6c7cccnc7n-5c46)cc(-c4c(C(C)C)cccc4C(C)C)c3)=N[C@]12C.[Pt+2]
InChIInChI=1S/C57H59N3O2.Pt/c1-31(2)40-17-15-18-41(32(3)4)50(40)36-24-37(53-59-56(13)30-44-35(7)33(5)20-21-45(44)57(56,14)62-53)26-39(25-36)61-49-29-48-46(23-34(49)6)55(11,12)47-28-38(54(8,9)10)27-43-42-19-16-22-58-52(42)60(48)51(43)47;/h15-25,27-28,31-32H,30H2,1-14H3;/q-2;+2/t56-,57+;/m1./s1/i30D2;
InChIKeyODIOZBQJKHKEAL-BUIOXMMJSA-N
MW1015.21 g/mol
LogP14.35
Rot. Bonds6

About CID 170934055

CID 170934055 (PubChem CID 170934055) has the molecular formula C57H59N3O2Pt and a molecular weight of 1015.21 g/mol.

Molecular Properties

Compound NameCID 170934055
PubChem CID170934055
Molecular FormulaC57H59N3O2Pt
Molecular Weight1015.21 g/mol
Exact Mass1014.44
IUPAC Name—
SMILES[2H]C1([2H])c2c(ccc(C)c2C)[C@]2(C)OC(c3[c-]c(Oc4[c-]c5c(cc4C)C(C)(C)c4cc(C(C)(C)C)cc6c7cccnc7n-5c46)cc(-c4c(C(C)C)cccc4C(C)C)c3)=N[C@]12C.[Pt+2]
InChIInChI=1S/C57H59N3O2.Pt/c1-31(2)40-17-15-18-41(32(3)4)50(40)36-24-37(53-59-56(13)30-44-35(7)33(5)20-21-45(44)57(56,14)62-53)26-39(25-36)61-49-29-48-46(23-34(49)6)55(11,12)47-28-38(54(8,9)10)27-43-42-19-16-22-58-52(42)60(48)51(43)47;/h15-25,27-28,31-32H,30H2,1-14H3;/q-2;+2/t56-,57+;/m1./s1/i30D2;
InChIKeyODIOZBQJKHKEAL-BUIOXMMJSA-N
XLogP14.35
TPSA48.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001015.21
LogP ≤ 514.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze CID 170934055 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 170935901
CID 170935901
CID 170935442
CID 170935442
CID 170932366
CID 170932366
CID 170934624
CID 170934624
CID 170935004
CID 170935004
CID 170932318
CID 170932318
CID 170932203
CID 170932203
CID 170935870
CID 170935870
CID 170935390
CID 170935390
(3aR,8bS)-2-[3-[3-tert-butyl-5-(6-tert-butylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-(2-tert-butyl-6-propan-2-ylphenyl)benzene-2-id-1-yl]-3a,5,6,8b-tetramethyl-4H-indeno[2,1-d][1,3]thiazole;platinum(2+)
CID 170934845
(3aR,6aS)-2-[3-[3-(7-tert-butyl-5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylbenzene-2-id-1-yl]oxy-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]-3a,6a-dimethyl-5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;platinum(2+)
CID 170933897
CID 170935686
CID 170935686

Frequently Asked Questions

What is the IUPAC name of CID 170934055?
The IUPAC name of CID 170934055 (CID 170934055) is not available.
What is the SMILES notation for CID 170934055?
The canonical SMILES for CID 170934055 is [2H]C1([2H])c2c(ccc(C)c2C)[C@]2(C)OC(c3[c-]c(Oc4[c-]c5c(cc4C)C(C)(C)c4cc(C(C)(C)C)cc6c7cccnc7n-5c46)cc(-c4c(C(C)C)cccc4C(C)C)c3)=N[C@]12C.[Pt+2].
What is the InChIKey of CID 170934055?
The InChIKey is ODIOZBQJKHKEAL-BUIOXMMJSA-N. The full InChI is InChI=1S/C57H59N3O2.Pt/c1-31(2)40-17-15-18-41(32(3)4)50(40)36-24-37(53-59-56(13)30-44-35(7)33(5)20-21-45(44)57(56,14)62-53)26-39(25-36)61-49-29-48-46(23-34(49)6)55(11,12)47-28-38(54(8,9)10)27-43-42-19-16-22-58-52(42)60(48)51(43)47;/h15-25,27-28,31-32H,30H2,1-14H3;/q-2;+2/t56-,57+;/m1./s1/i30D2;.
What are the key properties of CID 170934055?
CID 170934055 has a molecular weight of 1015.21 g/mol, XLogP of 14.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170934055 is sourced from PubChem (CID 170934055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).