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

C41H39N5OPt — CID 153417486

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

4-[3,5-dimethyl-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]-3,5-diethyl-N,N-dimethylaniline;platinum(2+) (PubChem CID 153417486) has the molecular formula C41H39N5OPt and a molecular weight of 812.87 g/mol. Its IUPAC name is 4-[3,5-dimethyl-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]-3,5-diethyl-N,N-dimethylaniline;platinum(2+).

Molecular Properties

• Compound Name: 4-[3,5-dimethyl-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]-3,5-diethyl-N,N-dimethylaniline;platinum(2+)
• PubChem CID: 153417486
• Molecular Formula: C41H39N5OPt
• Molecular Weight: 812.87 g/mol
• Exact Mass: 812.28
• IUPAC Name: 4-[3,5-dimethyl-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]-3,5-diethyl-N,N-dimethylaniline;platinum(2+)
• SMILES: CCc1cc(N(C)C)cc(CC)c1-c1c(C)nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C)ccn3)ccc2)c1C.[Pt+2]
• InChI: InChI=1S/C41H39N5O.Pt/c1-8-29-22-32(44(6)7)23-30(9-2)41(29)40-27(4)43-46(28(40)5)31-13-12-14-33(24-31)47-34-17-18-36-35-15-10-11-16-37(35)45(38(36)25-34)39-21-26(3)19-20-42-39;/h10-23H,8-9H2,1-7H3;/q-2;+2
• InChIKey: LSPFHABLUVDTAE-UHFFFAOYSA-N
• XLogP: 9.54
• TPSA: 48.11 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	812.87
LogP ≤ 5	9.54
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-[3,5-dimethyl-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]-3,5-diethyl-N,N-dimethylaniline;platinum(2+)?

The IUPAC name of 4-[3,5-dimethyl-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]-3,5-diethyl-N,N-dimethylaniline;platinum(2+) (CID 153417486) is 4-[3,5-dimethyl-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]-3,5-diethyl-N,N-dimethylaniline;platinum(2+).

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

The canonical SMILES for 4-[3,5-dimethyl-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]-3,5-diethyl-N,N-dimethylaniline;platinum(2+) is CCc1cc(N(C)C)cc(CC)c1-c1c(C)nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C)ccn3)ccc2)c1C.[Pt+2].

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

The InChIKey is LSPFHABLUVDTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H39N5O.Pt/c1-8-29-22-32(44(6)7)23-30(9-2)41(29)40-27(4)43-46(28(40)5)31-13-12-14-33(24-31)47-34-17-18-36-35-15-10-11-16-37(35)45(38(36)25-34)39-21-26(3)19-20-42-39;/h10-23H,8-9H2,1-7H3;/q-2;+2.

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

4-[3,5-dimethyl-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]-3,5-diethyl-N,N-dimethylaniline;platinum(2+) has a molecular weight of 812.87 g/mol, XLogP of 9.54, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3,5-dimethyl-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]-3,5-diethyl-N,N-dimethylaniline;platinum(2+) is sourced from PubChem (CID 153417486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).