1-N,1-N,3-N,3-N,4,6-hexamethyl-2-[1-[3-methyl-5-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]pyrazol-4-yl]benzene-1,3-diamine;platinum(2+)

C40H38N6OPt — CID 153414248

About 1-N,1-N,3-N,3-N,4,6-hexamethyl-2-[1-[3-methyl-5-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]pyrazol-4-yl]benzene-1,3-diamine;platinum(2+)

1-N,1-N,3-N,3-N,4,6-hexamethyl-2-[1-[3-methyl-5-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]pyrazol-4-yl]benzene-1,3-diamine;platinum(2+) (PubChem CID 153414248) has the molecular formula C40H38N6OPt and a molecular weight of 813.86 g/mol. Its IUPAC name is 1-N,1-N,3-N,3-N,4,6-hexamethyl-2-[1-[3-methyl-5-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]pyrazol-4-yl]benzene-1,3-diamine;platinum(2+).

Molecular Properties

• Compound Name: 1-N,1-N,3-N,3-N,4,6-hexamethyl-2-[1-[3-methyl-5-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]pyrazol-4-yl]benzene-1,3-diamine;platinum(2+)
• PubChem CID: 153414248
• Molecular Formula: C40H38N6OPt
• Molecular Weight: 813.86 g/mol
• Exact Mass: 813.28
• IUPAC Name: 1-N,1-N,3-N,3-N,4,6-hexamethyl-2-[1-[3-methyl-5-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]pyrazol-4-yl]benzene-1,3-diamine;platinum(2+)
• SMILES: Cc1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C)ccn2)[c-]c(-n2cc(-c3c(N(C)C)c(C)cc(C)c3N(C)C)cn2)c1.[Pt+2]
• InChI: InChI=1S/C40H38N6O.Pt/c1-25-15-16-41-37(19-25)46-35-12-10-9-11-33(35)34-14-13-31(22-36(34)46)47-32-18-26(2)17-30(21-32)45-24-29(23-42-45)38-39(43(5)6)27(3)20-28(4)40(38)44(7)8;/h9-20,23-24H,1-8H3;/q-2;+2
• InChIKey: NRUHXEDQQCQDEY-UHFFFAOYSA-N
• XLogP: 8.79
• TPSA: 51.35 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	813.86
LogP ≤ 5	8.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3-N,3-N,4,6-hexamethyl-2-[1-[3-methyl-5-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]pyrazol-4-yl]benzene-1,3-diamine;platinum(2+)?

The IUPAC name of 1-N,1-N,3-N,3-N,4,6-hexamethyl-2-[1-[3-methyl-5-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]pyrazol-4-yl]benzene-1,3-diamine;platinum(2+) (CID 153414248) is 1-N,1-N,3-N,3-N,4,6-hexamethyl-2-[1-[3-methyl-5-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]pyrazol-4-yl]benzene-1,3-diamine;platinum(2+).

What is the SMILES notation for 1-N,1-N,3-N,3-N,4,6-hexamethyl-2-[1-[3-methyl-5-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]pyrazol-4-yl]benzene-1,3-diamine;platinum(2+)?

The canonical SMILES for 1-N,1-N,3-N,3-N,4,6-hexamethyl-2-[1-[3-methyl-5-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]pyrazol-4-yl]benzene-1,3-diamine;platinum(2+) is Cc1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C)ccn2)[c-]c(-n2cc(-c3c(N(C)C)c(C)cc(C)c3N(C)C)cn2)c1.[Pt+2].

What is the InChIKey of 1-N,1-N,3-N,3-N,4,6-hexamethyl-2-[1-[3-methyl-5-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]pyrazol-4-yl]benzene-1,3-diamine;platinum(2+)?

The InChIKey is NRUHXEDQQCQDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H38N6O.Pt/c1-25-15-16-41-37(19-25)46-35-12-10-9-11-33(35)34-14-13-31(22-36(34)46)47-32-18-26(2)17-30(21-32)45-24-29(23-42-45)38-39(43(5)6)27(3)20-28(4)40(38)44(7)8;/h9-20,23-24H,1-8H3;/q-2;+2.

What are the key properties of 1-N,1-N,3-N,3-N,4,6-hexamethyl-2-[1-[3-methyl-5-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]pyrazol-4-yl]benzene-1,3-diamine;platinum(2+)?

1-N,1-N,3-N,3-N,4,6-hexamethyl-2-[1-[3-methyl-5-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]pyrazol-4-yl]benzene-1,3-diamine;platinum(2+) has a molecular weight of 813.86 g/mol, XLogP of 8.79, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N,1-N,3-N,3-N,4,6-hexamethyl-2-[1-[3-methyl-5-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]pyrazol-4-yl]benzene-1,3-diamine;platinum(2+) is sourced from PubChem (CID 153414248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).