platinum(2+);3,5,7-tris(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide

C56H42N4OPt — CID 154611558

IUPACplatinum(2+);3,5,7-tris(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide
SMILESCc1cccc(C)c1-c1cc(-c2c(C)cccc2C)c2c(c1)c1ccc(Oc3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)[c-]c1c1ncc(-c3c(C)cccc3C)n12.[Pt+2]
InChIInChI=1S/C56H42N4O.Pt/c1-33-14-11-15-34(2)52(33)39-28-45-42-25-23-40(61-41-24-26-44-43-20-7-8-21-48(43)59(49(44)31-41)51-22-9-10-27-57-51)30-46(42)56-58-32-50(54-37(5)18-13-19-38(54)6)60(56)55(45)47(29-39)53-35(3)16-12-17-36(53)4;/h7-29,32H,1-6H3;/q-2;+2
InChIKeyHZQCIPXVBJBKDQ-UHFFFAOYSA-N
MW982.06 g/mol
LogP14.37
Rot. Bonds6

About platinum(2+);3,5,7-tris(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide

platinum(2+);3,5,7-tris(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide (PubChem CID 154611558) has the molecular formula C56H42N4OPt and a molecular weight of 982.06 g/mol. Its IUPAC name is platinum(2+);3,5,7-tris(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide.

Molecular Properties

Compound Nameplatinum(2+);3,5,7-tris(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide
PubChem CID154611558
Molecular FormulaC56H42N4OPt
Molecular Weight982.06 g/mol
Exact Mass981.30
IUPAC Nameplatinum(2+);3,5,7-tris(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide
SMILESCc1cccc(C)c1-c1cc(-c2c(C)cccc2C)c2c(c1)c1ccc(Oc3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)[c-]c1c1ncc(-c3c(C)cccc3C)n12.[Pt+2]
InChIInChI=1S/C56H42N4O.Pt/c1-33-14-11-15-34(2)52(33)39-28-45-42-25-23-40(61-41-24-26-44-43-20-7-8-21-48(43)59(49(44)31-41)51-22-9-10-27-57-51)30-46(42)56-58-32-50(54-37(5)18-13-19-38(54)6)60(56)55(45)47(29-39)53-35(3)16-12-17-36(53)4;/h7-29,32H,1-6H3;/q-2;+2
InChIKeyHZQCIPXVBJBKDQ-UHFFFAOYSA-N
XLogP14.37
TPSA44.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500982.06
LogP ≤ 514.37
H-Bond Donors ≤ 50
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 platinum(2+);3,5,7-tris(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide with MolForge

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Related Compounds

3,5-bis(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;3,6-bis(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;3,7-bis(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;3,8-bis(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(platinum(2+));3,5,6-tris(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 158232225
5,7-bis(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154611608
7-(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154610827
8-(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154610895
CID 154610877
CID 154610877
2-methyl-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-[1,2,4]triazolo[1,5-f]phenanthridin-12-ide;platinum(2+)
CID 153411698
3,6-bis(2,6-dimethylphenyl)-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine
CID 154611519
10-[[3-[2,6-bis(propyliodanuidyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-12-pyridin-2-yl-11H-[1]benzofuro[3,2-a]carbazol-11-ide;palladium(2+)
CID 162461497
platinum(2+);5-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-4-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene
CID 168810845
CID 170672584
CID 170672584
CID 162487067
CID 162487067
3-(2-phenylphenyl)-11-[(9-pyridin-2-yl-8H-pyrido[3,4-b]indol-8-id-7-yl)oxy]-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;platinum(2+)
CID 153411601

Frequently Asked Questions

What is the IUPAC name of platinum(2+);3,5,7-tris(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide?
The IUPAC name of platinum(2+);3,5,7-tris(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide (CID 154611558) is platinum(2+);3,5,7-tris(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide.
What is the SMILES notation for platinum(2+);3,5,7-tris(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide?
The canonical SMILES for platinum(2+);3,5,7-tris(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide is Cc1cccc(C)c1-c1cc(-c2c(C)cccc2C)c2c(c1)c1ccc(Oc3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)[c-]c1c1ncc(-c3c(C)cccc3C)n12.[Pt+2].
What is the InChIKey of platinum(2+);3,5,7-tris(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide?
The InChIKey is HZQCIPXVBJBKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H42N4O.Pt/c1-33-14-11-15-34(2)52(33)39-28-45-42-25-23-40(61-41-24-26-44-43-20-7-8-21-48(43)59(49(44)31-41)51-22-9-10-27-57-51)30-46(42)56-58-32-50(54-37(5)18-13-19-38(54)6)60(56)55(45)47(29-39)53-35(3)16-12-17-36(53)4;/h7-29,32H,1-6H3;/q-2;+2.
What are the key properties of platinum(2+);3,5,7-tris(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide?
platinum(2+);3,5,7-tris(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide has a molecular weight of 982.06 g/mol, XLogP of 14.37, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for platinum(2+);3,5,7-tris(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide is sourced from PubChem (CID 154611558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).