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

C54H51N7OPt+2 — CID 168799586

About 3-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-6-tert-butyl-2-[3-(3-methylimidazole-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]-6-tert-butyl-2-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) (PubChem CID 168799586) has the molecular formula C54H51N7OPt+2 and a molecular weight of 1009.13 g/mol. Its IUPAC name is 3-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-6-tert-butyl-2-[3-(3-methylimidazole-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]-6-tert-butyl-2-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 168799586
• Molecular Formula: C54H51N7OPt+2
• Molecular Weight: 1009.13 g/mol
• Exact Mass: 1008.38
• IUPAC Name: 3-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-6-tert-butyl-2-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
• SMILES: C[N+]1=C=[N+](c2[c-]c(Oc3[c-]c4c(cc3-c3nc(-c5ccc(C(C)(C)C)cc5)nc(-c5ccc(C(C)(C)C)cc5)n3)c3cc(C(C)(C)C)ccc3n4-c3ccccn3)ccc2)C=C1.[Pt+2]
• InChI: InChI=1S/C54H51N7O.Pt/c1-52(2,3)37-21-17-35(18-22-37)49-56-50(36-19-23-38(24-20-36)53(4,5)6)58-51(57-49)44-32-43-42-30-39(54(7,8)9)25-26-45(42)61(48-16-11-12-27-55-48)46(43)33-47(44)62-41-15-13-14-40(31-41)60-29-28-59(10)34-60;/h11-30,32H,1-10H3;/q;+2
• InChIKey: XIEWOXFRFYZDCZ-UHFFFAOYSA-N
• XLogP: 12.59
• TPSA: 71.74 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1009.13
LogP ≤ 5	12.59
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]-6-tert-butyl-2-[3-(3-methylimidazole-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]-6-tert-butyl-2-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) (CID 168799586) is 3-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-6-tert-butyl-2-[3-(3-methylimidazole-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]-6-tert-butyl-2-[3-(3-methylimidazole-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]-6-tert-butyl-2-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) is C[N+]1=C=[N+](c2[c-]c(Oc3[c-]c4c(cc3-c3nc(-c5ccc(C(C)(C)C)cc5)nc(-c5ccc(C(C)(C)C)cc5)n3)c3cc(C(C)(C)C)ccc3n4-c3ccccn3)ccc2)C=C1.[Pt+2].

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

The InChIKey is XIEWOXFRFYZDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H51N7O.Pt/c1-52(2,3)37-21-17-35(18-22-37)49-56-50(36-19-23-38(24-20-36)53(4,5)6)58-51(57-49)44-32-43-42-30-39(54(7,8)9)25-26-45(42)61(48-16-11-12-27-55-48)46(43)33-47(44)62-41-15-13-14-40(31-41)60-29-28-59(10)34-60;/h11-30,32H,1-10H3;/q;+2.

What are the key properties of 3-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-6-tert-butyl-2-[3-(3-methylimidazole-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]-6-tert-butyl-2-[3-(3-methylimidazole-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 1009.13 g/mol, XLogP of 12.59, 7 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]-6-tert-butyl-2-[3-(3-methylimidazole-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 168799586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).