3-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3-[3-(4-methylphenyl)imidazole-1,3-diium-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)

C56H47N7OPt+2 — CID 168799541

About 3-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3-[3-(4-methylphenyl)imidazole-1,3-diium-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)

3-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3-[3-(4-methylphenyl)imidazole-1,3-diium-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) (PubChem CID 168799541) has the molecular formula C56H47N7OPt+2 and a molecular weight of 1029.12 g/mol. Its IUPAC name is 3-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3-[3-(4-methylphenyl)imidazole-1,3-diium-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 3-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3-[3-(4-methylphenyl)imidazole-1,3-diium-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 168799541
• Molecular Formula: C56H47N7OPt+2
• Molecular Weight: 1029.12 g/mol
• Exact Mass: 1028.35
• IUPAC Name: 3-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3-[3-(4-methylphenyl)imidazole-1,3-diium-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1ccc([N+]2=C=[N+](c3[c-]c(Oc4[c-]c5c(cc4-c4nc(-c6ccc(C(C)(C)C)cc6)nc(-c6ccc(C(C)(C)C)cc6)n4)c4ccccc4n5-c4ccccn4)ccc3)C=C2)cc1.[Pt+2]
• InChI: InChI=1S/C56H47N7O.Pt/c1-37-18-28-42(29-19-37)61-31-32-62(36-61)43-13-12-14-44(33-43)64-50-35-49-46(45-15-8-9-16-48(45)63(49)51-17-10-11-30-57-51)34-47(50)54-59-52(38-20-24-40(25-21-38)55(2,3)4)58-53(60-54)39-22-26-41(27-23-39)56(5,6)7;/h8-32,34H,1-7H3;/q;+2
• InChIKey: VHHOPCDWEMOPFS-UHFFFAOYSA-N
• XLogP: 13.31
• TPSA: 71.74 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1029.12
LogP ≤ 5	13.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3-[3-(4-methylphenyl)imidazole-1,3-diium-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 3-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3-[3-(4-methylphenyl)imidazole-1,3-diium-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) (CID 168799541) is 3-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3-[3-(4-methylphenyl)imidazole-1,3-diium-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 3-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3-[3-(4-methylphenyl)imidazole-1,3-diium-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 3-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3-[3-(4-methylphenyl)imidazole-1,3-diium-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) is Cc1ccc([N+]2=C=[N+](c3[c-]c(Oc4[c-]c5c(cc4-c4nc(-c6ccc(C(C)(C)C)cc6)nc(-c6ccc(C(C)(C)C)cc6)n4)c4ccccc4n5-c4ccccn4)ccc3)C=C2)cc1.[Pt+2].

What is the InChIKey of 3-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3-[3-(4-methylphenyl)imidazole-1,3-diium-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is VHHOPCDWEMOPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H47N7O.Pt/c1-37-18-28-42(29-19-37)61-31-32-62(36-61)43-13-12-14-44(33-43)64-50-35-49-46(45-15-8-9-16-48(45)63(49)51-17-10-11-30-57-51)34-47(50)54-59-52(38-20-24-40(25-21-38)55(2,3)4)58-53(60-54)39-22-26-41(27-23-39)56(5,6)7;/h8-32,34H,1-7H3;/q;+2.

What are the key properties of 3-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3-[3-(4-methylphenyl)imidazole-1,3-diium-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?

3-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3-[3-(4-methylphenyl)imidazole-1,3-diium-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 1029.12 g/mol, XLogP of 13.31, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3-[3-(4-methylphenyl)imidazole-1,3-diium-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 168799541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).