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

C54H47N8OPt-3 — CID 176782257

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

2-[3-[1-[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 176782257) has the molecular formula C54H47N8OPt-3 and a molecular weight of 1019.10 g/mol. Its IUPAC name is 2-[3-[1-[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[1-[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 176782257
• Molecular Formula: C54H47N8OPt-3
• Molecular Weight: 1019.10 g/mol
• Exact Mass: 1018.35
• IUPAC Name: 2-[3-[1-[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• SMILES: Cc1cc(C)c(-c2nc(-c3c(C)cc(C)cc3C)nc(N3[CH-]N(c4[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(C(C)(C)C)ccn5)ccc4)c4cnccc43)n2)c(C)c1.[Pt]
• InChI: InChI=1S/C54H47N8O.Pt/c1-32-23-34(3)49(35(4)24-32)51-57-52(50-36(5)25-33(2)26-37(50)6)59-53(58-51)61-31-60(47-30-55-21-20-45(47)61)39-13-12-14-40(28-39)63-41-17-18-43-42-15-10-11-16-44(42)62(46(43)29-41)48-27-38(19-22-56-48)54(7,8)9;/h10-27,30-31H,1-9H3;/q-3
• InChIKey: HQKVSLWTYUXODF-UHFFFAOYSA-N
• XLogP: 13.04
• TPSA: 85.09 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1019.10
LogP ≤ 5	13.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[1-[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 176782257) is 2-[3-[1-[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[3-[1-[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-[1-[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is Cc1cc(C)c(-c2nc(-c3c(C)cc(C)cc3C)nc(N3[CH-]N(c4[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(C(C)(C)C)ccn5)ccc4)c4cnccc43)n2)c(C)c1.[Pt].

What is the InChIKey of 2-[3-[1-[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The InChIKey is HQKVSLWTYUXODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H47N8O.Pt/c1-32-23-34(3)49(35(4)24-32)51-57-52(50-36(5)25-33(2)26-37(50)6)59-53(58-51)61-31-60(47-30-55-21-20-45(47)61)39-13-12-14-40(28-39)63-41-17-18-43-42-15-10-11-16-44(42)62(46(43)29-41)48-27-38(19-22-56-48)54(7,8)9;/h10-27,30-31H,1-9H3;/q-3;.

What are the key properties of 2-[3-[1-[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

2-[3-[1-[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 1019.10 g/mol, XLogP of 13.04, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[1-[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 176782257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).