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

C45H40N5Pt-3 — CID 155651791

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

9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-N-[3-[3-(2,3,4,5,6-pentamethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum (PubChem CID 155651791) has the molecular formula C45H40N5Pt-3 and a molecular weight of 845.93 g/mol. Its IUPAC name is 9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-N-[3-[3-(2,3,4,5,6-pentamethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum.

Molecular Properties

• Compound Name: 9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-N-[3-[3-(2,3,4,5,6-pentamethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum
• PubChem CID: 155651791
• Molecular Formula: C45H40N5Pt-3
• Molecular Weight: 845.93 g/mol
• Exact Mass: 845.29
• IUPAC Name: 9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-N-[3-[3-(2,3,4,5,6-pentamethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum
• SMILES: Cc1cccc(C)c1-c1ccnc(-n2c3[c-]c(Nc4[c-]c(N5C=CN(c6c(C)c(C)c(C)c(C)c6C)[CH-]5)ccc4)ccc3c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C45H40N5.Pt/c1-28-12-10-13-29(2)44(28)35-20-21-46-43(24-35)50-41-17-9-8-16-39(41)40-19-18-37(26-42(40)50)47-36-14-11-15-38(25-36)48-22-23-49(27-48)45-33(6)31(4)30(3)32(5)34(45)7;/h8-24,27,47H,1-7H3;/q-3
• InChIKey: OTLWJZOOUICCGR-UHFFFAOYSA-N
• XLogP: 11.26
• TPSA: 36.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	845.93
LogP ≤ 5	11.26
H-Bond Donors ≤ 5	1
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-(2,6-dimethylphenyl)-2-pyridinyl]-N-[3-[3-(2,3,4,5,6-pentamethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum?

The IUPAC name of 9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-N-[3-[3-(2,3,4,5,6-pentamethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum (CID 155651791) is 9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-N-[3-[3-(2,3,4,5,6-pentamethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum.

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

The canonical SMILES for 9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-N-[3-[3-(2,3,4,5,6-pentamethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum is Cc1cccc(C)c1-c1ccnc(-n2c3[c-]c(Nc4[c-]c(N5C=CN(c6c(C)c(C)c(C)c(C)c6C)[CH-]5)ccc4)ccc3c3ccccc32)c1.[Pt].

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

The InChIKey is OTLWJZOOUICCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H40N5.Pt/c1-28-12-10-13-29(2)44(28)35-20-21-46-43(24-35)50-41-17-9-8-16-39(41)40-19-18-37(26-42(40)50)47-36-14-11-15-38(25-36)48-22-23-49(27-48)45-33(6)31(4)30(3)32(5)34(45)7;/h8-24,27,47H,1-7H3;/q-3;.

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

9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-N-[3-[3-(2,3,4,5,6-pentamethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum has a molecular weight of 845.93 g/mol, XLogP of 11.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-N-[3-[3-(2,3,4,5,6-pentamethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum is sourced from PubChem (CID 155651791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).