N,N-dimethyl-6-[2-[3-[(5-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-id-9-yl]pyridin-3-amine;platinum(2+)

C₃₁H₂₄N₄OPt — CID 153421583

About N,N-dimethyl-6-[2-[3-[(5-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-id-9-yl]pyridin-3-amine;platinum(2+)

N,N-dimethyl-6-[2-[3-[(5-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-id-9-yl]pyridin-3-amine;platinum(2+) (PubChem CID 153421583) has the molecular formula C₃₁H₂₄N₄OPt and a molecular weight of 663.64 g/mol. Its IUPAC name is N,N-dimethyl-6-[2-[3-[(5-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-id-9-yl]pyridin-3-amine;platinum(2+).

Molecular Properties

• Compound Name: N,N-dimethyl-6-[2-[3-[(5-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-id-9-yl]pyridin-3-amine;platinum(2+)
• PubChem CID: 153421583
• Molecular Formula: C₃₁H₂₄N₄OPt
• Molecular Weight: 663.64 g/mol
• Exact Mass: 663.16
• IUPAC Name: N,N-dimethyl-6-[2-[3-[(5-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-id-9-yl]pyridin-3-amine;platinum(2+)
• SMILES: Cc1ccc(Oc2[c-]c(-c3[c-]c4c(cc3)c3ccccc3n4-c3ccc(N(C)C)cn3)ccc2)nc1.[Pt+2]
• InChI: InChI=1S/C31H24N4O.Pt/c1-21-11-16-31(33-19-21)36-25-8-6-7-22(17-25)23-12-14-27-26-9-4-5-10-28(26)35(29(27)18-23)30-15-13-24(20-32-30)34(2)3;/h4-16,19-20H,1-3H3;/q-2;+2
• InChIKey: CZGJFWYUTAEMIP-UHFFFAOYSA-N
• XLogP: 7.01
• TPSA: 43.18 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	663.64
LogP ≤ 5	7.01
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 N,N-dimethyl-6-[2-[3-[(5-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-id-9-yl]pyridin-3-amine;platinum(2+)?

The IUPAC name of N,N-dimethyl-6-[2-[3-[(5-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-id-9-yl]pyridin-3-amine;platinum(2+) (CID 153421583) is N,N-dimethyl-6-[2-[3-[(5-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-id-9-yl]pyridin-3-amine;platinum(2+).

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

The canonical SMILES for N,N-dimethyl-6-[2-[3-[(5-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-id-9-yl]pyridin-3-amine;platinum(2+) is Cc1ccc(Oc2[c-]c(-c3[c-]c4c(cc3)c3ccccc3n4-c3ccc(N(C)C)cn3)ccc2)nc1.[Pt+2].

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

The InChIKey is CZGJFWYUTAEMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24N4O.Pt/c1-21-11-16-31(33-19-21)36-25-8-6-7-22(17-25)23-12-14-27-26-9-4-5-10-28(26)35(29(27)18-23)30-15-13-24(20-32-30)34(2)3;/h4-16,19-20H,1-3H3;/q-2;+2.

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

N,N-dimethyl-6-[2-[3-[(5-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-id-9-yl]pyridin-3-amine;platinum(2+) has a molecular weight of 663.64 g/mol, XLogP of 7.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-6-[2-[3-[(5-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-id-9-yl]pyridin-3-amine;platinum(2+) is sourced from PubChem (CID 153421583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 153421583 — identifiers, structure, computed properties (public domain)

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