9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-[2,6-ditert-butyl-4-(2,4,6-trimethylphenyl)phenyl]-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

C56H56N5OPt-3 — CID 176783231

IUPAC9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-[2,6-ditert-butyl-4-(2,4,6-trimethylphenyl)phenyl]-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
SMILESCc1cc(C)c(-c2cc(C(C)(C)C)c(N3[CH-]N(c4[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(C(C)(C)C)ccn5)ccc4)c4cnccc43)c(C(C)(C)C)c2)c(C)c1.[Pt]
InChIInChI=1S/C56H56N5O.Pt/c1-35-26-36(2)52(37(3)27-35)38-28-45(55(7,8)9)53(46(29-38)56(10,11)12)60-34-59(50-33-57-24-23-48(50)60)40-16-15-17-41(31-40)62-42-20-21-44-43-18-13-14-19-47(43)61(49(44)32-42)51-30-39(22-25-58-51)54(4,5)6;/h13-30,33-34H,1-12H3;/q-3;
InChIKeyKILLSKBQMNJYSK-UHFFFAOYSA-N
MW1010.18 g/mol
LogP14.86
Rot. Bonds6

About 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-[2,6-ditert-butyl-4-(2,4,6-trimethylphenyl)phenyl]-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-[2,6-ditert-butyl-4-(2,4,6-trimethylphenyl)phenyl]-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 176783231) has the molecular formula C56H56N5OPt-3 and a molecular weight of 1010.18 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-[2,6-ditert-butyl-4-(2,4,6-trimethylphenyl)phenyl]-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

Compound Name9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-[2,6-ditert-butyl-4-(2,4,6-trimethylphenyl)phenyl]-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
PubChem CID176783231
Molecular FormulaC56H56N5OPt-3
Molecular Weight1010.18 g/mol
Exact Mass1009.41
IUPAC Name9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-[2,6-ditert-butyl-4-(2,4,6-trimethylphenyl)phenyl]-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
SMILESCc1cc(C)c(-c2cc(C(C)(C)C)c(N3[CH-]N(c4[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(C(C)(C)C)ccn5)ccc4)c4cnccc43)c(C(C)(C)C)c2)c(C)c1.[Pt]
InChIInChI=1S/C56H56N5O.Pt/c1-35-26-36(2)52(37(3)27-35)38-28-45(55(7,8)9)53(46(29-38)56(10,11)12)60-34-59(50-33-57-24-23-48(50)60)40-16-15-17-41(31-40)62-42-20-21-44-43-18-13-14-19-47(43)61(49(44)32-42)51-30-39(22-25-58-51)54(4,5)6;/h13-30,33-34H,1-12H3;/q-3;
InChIKeyKILLSKBQMNJYSK-UHFFFAOYSA-N
XLogP14.86
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms63
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001010.18
LogP ≤ 514.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-[2,6-ditert-butyl-4-(2,4,6-trimethylphenyl)phenyl]-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-[2,6-ditert-butyl-4-(2,4,6-trimethylphenyl)phenyl]-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?
The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-[2,6-ditert-butyl-4-(2,4,6-trimethylphenyl)phenyl]-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 176783231) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-[2,6-ditert-butyl-4-(2,4,6-trimethylphenyl)phenyl]-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.
What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-[2,6-ditert-butyl-4-(2,4,6-trimethylphenyl)phenyl]-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?
The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-[2,6-ditert-butyl-4-(2,4,6-trimethylphenyl)phenyl]-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is Cc1cc(C)c(-c2cc(C(C)(C)C)c(N3[CH-]N(c4[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(C(C)(C)C)ccn5)ccc4)c4cnccc43)c(C(C)(C)C)c2)c(C)c1.[Pt].
What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-[2,6-ditert-butyl-4-(2,4,6-trimethylphenyl)phenyl]-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?
The InChIKey is KILLSKBQMNJYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H56N5O.Pt/c1-35-26-36(2)52(37(3)27-35)38-28-45(55(7,8)9)53(46(29-38)56(10,11)12)60-34-59(50-33-57-24-23-48(50)60)40-16-15-17-41(31-40)62-42-20-21-44-43-18-13-14-19-47(43)61(49(44)32-42)51-30-39(22-25-58-51)54(4,5)6;/h13-30,33-34H,1-12H3;/q-3;.
What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-[2,6-ditert-butyl-4-(2,4,6-trimethylphenyl)phenyl]-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?
9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-[2,6-ditert-butyl-4-(2,4,6-trimethylphenyl)phenyl]-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 1010.18 g/mol, XLogP of 14.86, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-[2,6-ditert-butyl-4-(2,4,6-trimethylphenyl)phenyl]-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 176783231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).