2,4-ditert-butyl-6-[6-methyl-3-(2-propan-2-yl-4-spiro[5.5]undecan-3-ylphenyl)-10-[4-(4-spiro[5.5]undecan-3-ylphenyl)-2-pyridinyl]-11H-imidazo[4,5-k]phenanthridin-11-id-2-yl]phenol;platinum

C71H83N4OPt- — CID 164746126

IUPAC2,4-ditert-butyl-6-[6-methyl-3-(2-propan-2-yl-4-spiro[5.5]undecan-3-ylphenyl)-10-[4-(4-spiro[5.5]undecan-3-ylphenyl)-2-pyridinyl]-11H-imidazo[4,5-k]phenanthridin-11-id-2-yl]phenol;platinum
SMILESCc1nc2ccc(-c3cc(-c4ccc(C5CCC6(CCCCC6)CC5)cc4)ccn3)[c-]c2c2c1ccc1c2nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n1-c1ccc(C2CCC3(CCCCC3)CC2)cc1C(C)C.[Pt]
InChIInChI=1S/C71H83N4O.Pt/c1-45(2)56-40-51(50-28-37-71(38-29-50)33-14-11-15-34-71)21-24-62(56)75-63-25-22-55-46(3)73-60-23-20-53(41-57(60)64(55)65(63)74-67(75)58-43-54(68(4,5)6)44-59(66(58)76)69(7,8)9)61-42-52(30-39-72-61)48-18-16-47(17-19-48)49-26-35-70(36-27-49)31-12-10-13-32-70;/h16-25,30,39-40,42-45,49-50,76H,10-15,26-29,31-38H2,1-9H3;/q-1;
InChIKeyJATWHZKTEWQABF-UHFFFAOYSA-N
MW1203.55 g/mol
LogP19.87
Rot. Bonds7

About 2,4-ditert-butyl-6-[6-methyl-3-(2-propan-2-yl-4-spiro[5.5]undecan-3-ylphenyl)-10-[4-(4-spiro[5.5]undecan-3-ylphenyl)-2-pyridinyl]-11H-imidazo[4,5-k]phenanthridin-11-id-2-yl]phenol;platinum

2,4-ditert-butyl-6-[6-methyl-3-(2-propan-2-yl-4-spiro[5.5]undecan-3-ylphenyl)-10-[4-(4-spiro[5.5]undecan-3-ylphenyl)-2-pyridinyl]-11H-imidazo[4,5-k]phenanthridin-11-id-2-yl]phenol;platinum (PubChem CID 164746126) has the molecular formula C71H83N4OPt- and a molecular weight of 1203.55 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[6-methyl-3-(2-propan-2-yl-4-spiro[5.5]undecan-3-ylphenyl)-10-[4-(4-spiro[5.5]undecan-3-ylphenyl)-2-pyridinyl]-11H-imidazo[4,5-k]phenanthridin-11-id-2-yl]phenol;platinum.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[6-methyl-3-(2-propan-2-yl-4-spiro[5.5]undecan-3-ylphenyl)-10-[4-(4-spiro[5.5]undecan-3-ylphenyl)-2-pyridinyl]-11H-imidazo[4,5-k]phenanthridin-11-id-2-yl]phenol;platinum
PubChem CID164746126
Molecular FormulaC71H83N4OPt-
Molecular Weight1203.55 g/mol
Exact Mass1202.62
IUPAC Name2,4-ditert-butyl-6-[6-methyl-3-(2-propan-2-yl-4-spiro[5.5]undecan-3-ylphenyl)-10-[4-(4-spiro[5.5]undecan-3-ylphenyl)-2-pyridinyl]-11H-imidazo[4,5-k]phenanthridin-11-id-2-yl]phenol;platinum
SMILESCc1nc2ccc(-c3cc(-c4ccc(C5CCC6(CCCCC6)CC5)cc4)ccn3)[c-]c2c2c1ccc1c2nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n1-c1ccc(C2CCC3(CCCCC3)CC2)cc1C(C)C.[Pt]
InChIInChI=1S/C71H83N4O.Pt/c1-45(2)56-40-51(50-28-37-71(38-29-50)33-14-11-15-34-71)21-24-62(56)75-63-25-22-55-46(3)73-60-23-20-53(41-57(60)64(55)65(63)74-67(75)58-43-54(68(4,5)6)44-59(66(58)76)69(7,8)9)61-42-52(30-39-72-61)48-18-16-47(17-19-48)49-26-35-70(36-27-49)31-12-10-13-32-70;/h16-25,30,39-40,42-45,49-50,76H,10-15,26-29,31-38H2,1-9H3;/q-1;
InChIKeyJATWHZKTEWQABF-UHFFFAOYSA-N
XLogP19.87
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001203.55
LogP ≤ 519.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2,4-ditert-butyl-6-[6-methyl-3-(2-propan-2-yl-4-spiro[5.5]undecan-3-ylphenyl)-10-[4-(4-spiro[5.5]undecan-3-ylphenyl)-2-pyridinyl]-11H-imidazo[4,5-k]phenanthridin-11-id-2-yl]phenol;platinum with MolForge

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Related Compounds

2,4-ditert-butyl-6-[9-(4-phenyl-2-pyridinyl)-3-(2-propan-2-yl-4-spiro[5.5]undecan-3-ylphenyl)-[1]benzofuro[3,2-e]benzimidazol-2-yl]phenol
CID 164746255
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-[3-(4-phenyl-2-propan-2-ylphenyl)-10-(4-phenyl-2-pyridinyl)naphtho[1,2-e]benzimidazol-2-yl]phenol
CID 164746231
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
CID 164796492
CID 164796492
CID 164796582
CID 164796582
2-[4-[3-tert-butyl-5-[4-(4-cyclohexylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-6-(2-phenylphenyl)phenol;platinum
CID 164713300
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-phenyl-6-propan-2-ylphenyl)-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 171752442
2,4-ditert-butyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-(4-phenylphenyl)-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-(3-phenyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;platinum
CID 158684991
2,4-ditert-butyl-6-[1-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-tert-butyl-5-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 153476218
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

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[6-methyl-3-(2-propan-2-yl-4-spiro[5.5]undecan-3-ylphenyl)-10-[4-(4-spiro[5.5]undecan-3-ylphenyl)-2-pyridinyl]-11H-imidazo[4,5-k]phenanthridin-11-id-2-yl]phenol;platinum?
The IUPAC name of 2,4-ditert-butyl-6-[6-methyl-3-(2-propan-2-yl-4-spiro[5.5]undecan-3-ylphenyl)-10-[4-(4-spiro[5.5]undecan-3-ylphenyl)-2-pyridinyl]-11H-imidazo[4,5-k]phenanthridin-11-id-2-yl]phenol;platinum (CID 164746126) is 2,4-ditert-butyl-6-[6-methyl-3-(2-propan-2-yl-4-spiro[5.5]undecan-3-ylphenyl)-10-[4-(4-spiro[5.5]undecan-3-ylphenyl)-2-pyridinyl]-11H-imidazo[4,5-k]phenanthridin-11-id-2-yl]phenol;platinum.
What is the SMILES notation for 2,4-ditert-butyl-6-[6-methyl-3-(2-propan-2-yl-4-spiro[5.5]undecan-3-ylphenyl)-10-[4-(4-spiro[5.5]undecan-3-ylphenyl)-2-pyridinyl]-11H-imidazo[4,5-k]phenanthridin-11-id-2-yl]phenol;platinum?
The canonical SMILES for 2,4-ditert-butyl-6-[6-methyl-3-(2-propan-2-yl-4-spiro[5.5]undecan-3-ylphenyl)-10-[4-(4-spiro[5.5]undecan-3-ylphenyl)-2-pyridinyl]-11H-imidazo[4,5-k]phenanthridin-11-id-2-yl]phenol;platinum is Cc1nc2ccc(-c3cc(-c4ccc(C5CCC6(CCCCC6)CC5)cc4)ccn3)[c-]c2c2c1ccc1c2nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n1-c1ccc(C2CCC3(CCCCC3)CC2)cc1C(C)C.[Pt].
What is the InChIKey of 2,4-ditert-butyl-6-[6-methyl-3-(2-propan-2-yl-4-spiro[5.5]undecan-3-ylphenyl)-10-[4-(4-spiro[5.5]undecan-3-ylphenyl)-2-pyridinyl]-11H-imidazo[4,5-k]phenanthridin-11-id-2-yl]phenol;platinum?
The InChIKey is JATWHZKTEWQABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H83N4O.Pt/c1-45(2)56-40-51(50-28-37-71(38-29-50)33-14-11-15-34-71)21-24-62(56)75-63-25-22-55-46(3)73-60-23-20-53(41-57(60)64(55)65(63)74-67(75)58-43-54(68(4,5)6)44-59(66(58)76)69(7,8)9)61-42-52(30-39-72-61)48-18-16-47(17-19-48)49-26-35-70(36-27-49)31-12-10-13-32-70;/h16-25,30,39-40,42-45,49-50,76H,10-15,26-29,31-38H2,1-9H3;/q-1;.
What are the key properties of 2,4-ditert-butyl-6-[6-methyl-3-(2-propan-2-yl-4-spiro[5.5]undecan-3-ylphenyl)-10-[4-(4-spiro[5.5]undecan-3-ylphenyl)-2-pyridinyl]-11H-imidazo[4,5-k]phenanthridin-11-id-2-yl]phenol;platinum?
2,4-ditert-butyl-6-[6-methyl-3-(2-propan-2-yl-4-spiro[5.5]undecan-3-ylphenyl)-10-[4-(4-spiro[5.5]undecan-3-ylphenyl)-2-pyridinyl]-11H-imidazo[4,5-k]phenanthridin-11-id-2-yl]phenol;platinum has a molecular weight of 1203.55 g/mol, XLogP of 19.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[6-methyl-3-(2-propan-2-yl-4-spiro[5.5]undecan-3-ylphenyl)-10-[4-(4-spiro[5.5]undecan-3-ylphenyl)-2-pyridinyl]-11H-imidazo[4,5-k]phenanthridin-11-id-2-yl]phenol;platinum is sourced from PubChem (CID 164746126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).