9-(4-tert-butyl-2-pyridinyl)-N-[3-[3-(2,3,4,5,6-pentamethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]-N-phenyl-1H-carbazol-1-id-2-amine;platinum

C47H44N5Pt-3 — CID 155652147

About 9-(4-tert-butyl-2-pyridinyl)-N-[3-[3-(2,3,4,5,6-pentamethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]-N-phenyl-1H-carbazol-1-id-2-amine;platinum

9-(4-tert-butyl-2-pyridinyl)-N-[3-[3-(2,3,4,5,6-pentamethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]-N-phenyl-1H-carbazol-1-id-2-amine;platinum (PubChem CID 155652147) has the molecular formula C47H44N5Pt-3 and a molecular weight of 873.98 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-N-[3-[3-(2,3,4,5,6-pentamethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]-N-phenyl-1H-carbazol-1-id-2-amine;platinum.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-N-[3-[3-(2,3,4,5,6-pentamethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]-N-phenyl-1H-carbazol-1-id-2-amine;platinum
• PubChem CID: 155652147
• Molecular Formula: C47H44N5Pt-3
• Molecular Weight: 873.98 g/mol
• Exact Mass: 873.33
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-N-[3-[3-(2,3,4,5,6-pentamethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]-N-phenyl-1H-carbazol-1-id-2-amine;platinum
• SMILES: Cc1c(C)c(C)c(N2C=CN(c3[c-]c(N(c4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)c4ccccc4)ccc3)[CH-]2)c(C)c1C.[Pt]
• InChI: InChI=1S/C47H44N5.Pt/c1-31-32(2)34(4)46(35(5)33(31)3)50-26-25-49(30-50)38-17-14-18-39(28-38)51(37-15-10-9-11-16-37)40-21-22-42-41-19-12-13-20-43(41)52(44(42)29-40)45-27-36(23-24-48-45)47(6,7)8;/h9-27,30H,1-8H3;/q-3
• InChIKey: HOKRUYJVMYNGPD-UHFFFAOYSA-N
• XLogP: 12.00
• TPSA: 27.54 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	873.98
LogP ≤ 5	12.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-N-[3-[3-(2,3,4,5,6-pentamethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]-N-phenyl-1H-carbazol-1-id-2-amine;platinum?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-N-[3-[3-(2,3,4,5,6-pentamethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]-N-phenyl-1H-carbazol-1-id-2-amine;platinum (CID 155652147) is 9-(4-tert-butyl-2-pyridinyl)-N-[3-[3-(2,3,4,5,6-pentamethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]-N-phenyl-1H-carbazol-1-id-2-amine;platinum.

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-N-[3-[3-(2,3,4,5,6-pentamethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]-N-phenyl-1H-carbazol-1-id-2-amine;platinum?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-N-[3-[3-(2,3,4,5,6-pentamethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]-N-phenyl-1H-carbazol-1-id-2-amine;platinum is Cc1c(C)c(C)c(N2C=CN(c3[c-]c(N(c4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)c4ccccc4)ccc3)[CH-]2)c(C)c1C.[Pt].

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-N-[3-[3-(2,3,4,5,6-pentamethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]-N-phenyl-1H-carbazol-1-id-2-amine;platinum?

The InChIKey is HOKRUYJVMYNGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H44N5.Pt/c1-31-32(2)34(4)46(35(5)33(31)3)50-26-25-49(30-50)38-17-14-18-39(28-38)51(37-15-10-9-11-16-37)40-21-22-42-41-19-12-13-20-43(41)52(44(42)29-40)45-27-36(23-24-48-45)47(6,7)8;/h9-27,30H,1-8H3;/q-3;.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-N-[3-[3-(2,3,4,5,6-pentamethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]-N-phenyl-1H-carbazol-1-id-2-amine;platinum?

9-(4-tert-butyl-2-pyridinyl)-N-[3-[3-(2,3,4,5,6-pentamethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]-N-phenyl-1H-carbazol-1-id-2-amine;platinum has a molecular weight of 873.98 g/mol, XLogP of 12.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-N-[3-[3-(2,3,4,5,6-pentamethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]-N-phenyl-1H-carbazol-1-id-2-amine;platinum is sourced from PubChem (CID 155652147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).