CID 164796492

C61H52N3O2Pt- — CID 164796492

IUPAC—
SMILESCC(C)(C)c1cc(-c2nc3c4c5c(oc4ccc3n2-c2ccc(-c3ccccc3)cc2-c2ccccc2)C(C)(C)c2ccc(-c3cc(-c4ccccc4)ccn3)[c-]c2-5)c(O)c(C(C)(C)C)c1.[Pt]
InChIInChI=1S/C61H52N3O2.Pt/c1-59(2,3)43-35-46(56(65)48(36-43)60(4,5)6)58-63-55-51(64(58)50-27-25-40(37-18-12-9-13-19-37)32-44(50)39-22-16-11-17-23-39)28-29-52-54(55)53-45-33-42(24-26-47(45)61(7,8)57(53)66-52)49-34-41(30-31-62-49)38-20-14-10-15-21-38;/h9-32,34-36,65H,1-8H3;/q-1;
InChIKeyWCUVTUFSLHRBJC-UHFFFAOYSA-N
MW1054.18 g/mol
LogP15.91
Rot. Bonds6

About CID 164796492

CID 164796492 (PubChem CID 164796492) has the molecular formula C61H52N3O2Pt- and a molecular weight of 1054.18 g/mol.

Molecular Properties

Compound NameCID 164796492
PubChem CID164796492
Molecular FormulaC61H52N3O2Pt-
Molecular Weight1054.18 g/mol
Exact Mass1053.37
IUPAC Name—
SMILESCC(C)(C)c1cc(-c2nc3c4c5c(oc4ccc3n2-c2ccc(-c3ccccc3)cc2-c2ccccc2)C(C)(C)c2ccc(-c3cc(-c4ccccc4)ccn3)[c-]c2-5)c(O)c(C(C)(C)C)c1.[Pt]
InChIInChI=1S/C61H52N3O2.Pt/c1-59(2,3)43-35-46(56(65)48(36-43)60(4,5)6)58-63-55-51(64(58)50-27-25-40(37-18-12-9-13-19-37)32-44(50)39-22-16-11-17-23-39)28-29-52-54(55)53-45-33-42(24-26-47(45)61(7,8)57(53)66-52)49-34-41(30-31-62-49)38-20-14-10-15-21-38;/h9-32,34-36,65H,1-8H3;/q-1;
InChIKeyWCUVTUFSLHRBJC-UHFFFAOYSA-N
XLogP15.91
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001054.18
LogP ≤ 515.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 164796582
CID 164796582
2,4-ditert-butyl-6-[6-(4-tert-butyl-2-phenylphenyl)-11,11-dimethyl-17-(4-phenyl-2-pyridinyl)-13-oxa-4,6-diazapentacyclo[10.7.0.02,10.03,7.014,19]nonadeca-1(12),2(10),3(7),4,8,14(19),15,17-octaen-5-yl]phenol
CID 164796533
2,4-ditert-butyl-6-[3-(2,4-diphenylphenyl)-10-(4-phenyl-2-pyridinyl)-11H-imidazo[4,5-a]phenanthridin-11-id-2-yl]phenol;platinum
CID 164746164
2,4-ditert-butyl-6-[3-(4-phenyl-2-propan-2-ylphenyl)-9-(4-phenyl-2-pyridinyl)-10H-[1]benzofuro[3,2-e]benzimidazol-10-id-2-yl]phenol;platinum
CID 164746112
2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[4-(4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 167355310
2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[9,9-dimethyl-1-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]-2H-fluoren-2-id-3-yl]benzimidazol-2-yl]phenol;platinum
CID 162782955
2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 153481343
2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[9-phenyl-2-[4-(4-phenylphenyl)-2-pyridinyl]-3H-carbazol-3-id-4-yl]benzimidazol-2-yl]phenol;platinum
CID 162783084
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-(4-hydroxy-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum
CID 171057378
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-1-(2,4-diphenylphenyl)benzimidazol-2-yl]phenol
CID 140833244
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(4-fluorophenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum
CID 164816632
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum
CID 167332166

Frequently Asked Questions

What is the IUPAC name of CID 164796492?
The IUPAC name of CID 164796492 (CID 164796492) is not available.
What is the SMILES notation for CID 164796492?
The canonical SMILES for CID 164796492 is CC(C)(C)c1cc(-c2nc3c4c5c(oc4ccc3n2-c2ccc(-c3ccccc3)cc2-c2ccccc2)C(C)(C)c2ccc(-c3cc(-c4ccccc4)ccn3)[c-]c2-5)c(O)c(C(C)(C)C)c1.[Pt].
What is the InChIKey of CID 164796492?
The InChIKey is WCUVTUFSLHRBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H52N3O2.Pt/c1-59(2,3)43-35-46(56(65)48(36-43)60(4,5)6)58-63-55-51(64(58)50-27-25-40(37-18-12-9-13-19-37)32-44(50)39-22-16-11-17-23-39)28-29-52-54(55)53-45-33-42(24-26-47(45)61(7,8)57(53)66-52)49-34-41(30-31-62-49)38-20-14-10-15-21-38;/h9-32,34-36,65H,1-8H3;/q-1;.
What are the key properties of CID 164796492?
CID 164796492 has a molecular weight of 1054.18 g/mol, XLogP of 15.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164796492 is sourced from PubChem (CID 164796492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).