2-[3-[4-(2,6-dimethyl-4-nitrophenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

C35H25N5O4Pt — CID 153414350

About 2-[3-[4-(2,6-dimethyl-4-nitrophenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

2-[3-[4-(2,6-dimethyl-4-nitrophenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153414350) has the molecular formula C35H25N5O4Pt and a molecular weight of 774.69 g/mol. Its IUPAC name is 2-[3-[4-(2,6-dimethyl-4-nitrophenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-[4-(2,6-dimethyl-4-nitrophenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153414350
• Molecular Formula: C35H25N5O4Pt
• Molecular Weight: 774.69 g/mol
• Exact Mass: 774.16
• IUPAC Name: 2-[3-[4-(2,6-dimethyl-4-nitrophenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: COc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5cc(-c6c(C)cc([N+](=O)[O-])cc6C)cn5)ccc4)ccc3c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C35H25N5O4.Pt/c1-22-15-26(40(41)42)16-23(2)35(22)24-20-37-38(21-24)25-7-6-8-28(17-25)44-29-11-12-31-30-9-4-5-10-32(30)39(33(31)18-29)34-19-27(43-3)13-14-36-34;/h4-16,19-21H,1-3H3;/q-2;+2
• InChIKey: KMAQXIANCKPLFN-UHFFFAOYSA-N
• XLogP: 7.96
• TPSA: 97.24 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	774.69
LogP ≤ 5	7.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2,6-dimethyl-4-nitrophenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-[4-(2,6-dimethyl-4-nitrophenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153414350) is 2-[3-[4-(2,6-dimethyl-4-nitrophenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 2-[3-[4-(2,6-dimethyl-4-nitrophenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 2-[3-[4-(2,6-dimethyl-4-nitrophenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is COc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5cc(-c6c(C)cc([N+](=O)[O-])cc6C)cn5)ccc4)ccc3c3ccccc32)c1.[Pt+2].

What is the InChIKey of 2-[3-[4-(2,6-dimethyl-4-nitrophenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is KMAQXIANCKPLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25N5O4.Pt/c1-22-15-26(40(41)42)16-23(2)35(22)24-20-37-38(21-24)25-7-6-8-28(17-25)44-29-11-12-31-30-9-4-5-10-32(30)39(33(31)18-29)34-19-27(43-3)13-14-36-34;/h4-16,19-21H,1-3H3;/q-2;+2.

What are the key properties of 2-[3-[4-(2,6-dimethyl-4-nitrophenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

2-[3-[4-(2,6-dimethyl-4-nitrophenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 774.69 g/mol, XLogP of 7.96, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-(2,6-dimethyl-4-nitrophenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153414350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).