4-[5-ethyl-3-methyl-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]-N,N,3,5-tetramethylaniline;platinum(2+)

C40H37N5OPt — CID 153416552

About 4-[5-ethyl-3-methyl-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]-N,N,3,5-tetramethylaniline;platinum(2+)

4-[5-ethyl-3-methyl-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]-N,N,3,5-tetramethylaniline;platinum(2+) (PubChem CID 153416552) has the molecular formula C40H37N5OPt and a molecular weight of 798.85 g/mol. Its IUPAC name is 4-[5-ethyl-3-methyl-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]-N,N,3,5-tetramethylaniline;platinum(2+).

Molecular Properties

• Compound Name: 4-[5-ethyl-3-methyl-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]-N,N,3,5-tetramethylaniline;platinum(2+)
• PubChem CID: 153416552
• Molecular Formula: C40H37N5OPt
• Molecular Weight: 798.85 g/mol
• Exact Mass: 798.26
• IUPAC Name: 4-[5-ethyl-3-methyl-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]-N,N,3,5-tetramethylaniline;platinum(2+)
• SMILES: CCc1c(-c2c(C)cc(N(C)C)cc2C)c(C)nn1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C)ccn2)ccc1.[Pt+2]
• InChI: InChI=1S/C40H37N5O.Pt/c1-8-35-40(39-26(3)21-30(43(6)7)22-27(39)4)28(5)42-45(35)29-12-11-13-31(23-29)46-32-16-17-34-33-14-9-10-15-36(33)44(37(34)24-32)38-20-25(2)18-19-41-38;/h9-22H,8H2,1-7H3;/q-2;+2
• InChIKey: UICLCJBDVPYQBI-UHFFFAOYSA-N
• XLogP: 9.28
• TPSA: 48.11 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	798.85
LogP ≤ 5	9.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[5-ethyl-3-methyl-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]-N,N,3,5-tetramethylaniline;platinum(2+)?

The IUPAC name of 4-[5-ethyl-3-methyl-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]-N,N,3,5-tetramethylaniline;platinum(2+) (CID 153416552) is 4-[5-ethyl-3-methyl-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]-N,N,3,5-tetramethylaniline;platinum(2+).

What is the SMILES notation for 4-[5-ethyl-3-methyl-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]-N,N,3,5-tetramethylaniline;platinum(2+)?

The canonical SMILES for 4-[5-ethyl-3-methyl-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]-N,N,3,5-tetramethylaniline;platinum(2+) is CCc1c(-c2c(C)cc(N(C)C)cc2C)c(C)nn1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C)ccn2)ccc1.[Pt+2].

What is the InChIKey of 4-[5-ethyl-3-methyl-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]-N,N,3,5-tetramethylaniline;platinum(2+)?

The InChIKey is UICLCJBDVPYQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H37N5O.Pt/c1-8-35-40(39-26(3)21-30(43(6)7)22-27(39)4)28(5)42-45(35)29-12-11-13-31(23-29)46-32-16-17-34-33-14-9-10-15-36(33)44(37(34)24-32)38-20-25(2)18-19-41-38;/h9-22H,8H2,1-7H3;/q-2;+2.

What are the key properties of 4-[5-ethyl-3-methyl-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]-N,N,3,5-tetramethylaniline;platinum(2+)?

4-[5-ethyl-3-methyl-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]-N,N,3,5-tetramethylaniline;platinum(2+) has a molecular weight of 798.85 g/mol, XLogP of 9.28, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-ethyl-3-methyl-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]-N,N,3,5-tetramethylaniline;platinum(2+) is sourced from PubChem (CID 153416552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).