2-[3-[4-[3,5-dimethyl-2,6-bis(2-methylpropyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

C43H42N4O2Pt — CID 153413624

About 2-[3-[4-[3,5-dimethyl-2,6-bis(2-methylpropyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

2-[3-[4-[3,5-dimethyl-2,6-bis(2-methylpropyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153413624) has the molecular formula C43H42N4O2Pt and a molecular weight of 841.91 g/mol. Its IUPAC name is 2-[3-[4-[3,5-dimethyl-2,6-bis(2-methylpropyl)phenyl]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-[3,5-dimethyl-2,6-bis(2-methylpropyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153413624
• Molecular Formula: C43H42N4O2Pt
• Molecular Weight: 841.91 g/mol
• Exact Mass: 841.30
• IUPAC Name: 2-[3-[4-[3,5-dimethyl-2,6-bis(2-methylpropyl)phenyl]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(CC(C)C)c(C)cc(C)c6CC(C)C)cn5)ccc4)ccc3c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C43H42N4O2.Pt/c1-27(2)19-38-29(5)21-30(6)39(20-28(3)4)43(38)31-25-45-46(26-31)32-11-10-12-34(22-32)49-35-15-16-37-36-13-8-9-14-40(36)47(41(37)23-35)42-24-33(48-7)17-18-44-42;/h8-18,21,24-28H,19-20H2,1-7H3;/q-2;+2
• InChIKey: STNWCEPNEXXJKX-UHFFFAOYSA-N
• XLogP: 10.44
• TPSA: 54.10 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	841.91
LogP ≤ 5	10.44
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 2-[3-[4-[3,5-dimethyl-2,6-bis(2-methylpropyl)phenyl]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-[3,5-dimethyl-2,6-bis(2-methylpropyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153413624) is 2-[3-[4-[3,5-dimethyl-2,6-bis(2-methylpropyl)phenyl]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-[3,5-dimethyl-2,6-bis(2-methylpropyl)phenyl]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-[3,5-dimethyl-2,6-bis(2-methylpropyl)phenyl]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(CC(C)C)c(C)cc(C)c6CC(C)C)cn5)ccc4)ccc3c3ccccc32)c1.[Pt+2].

What is the InChIKey of 2-[3-[4-[3,5-dimethyl-2,6-bis(2-methylpropyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is STNWCEPNEXXJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H42N4O2.Pt/c1-27(2)19-38-29(5)21-30(6)39(20-28(3)4)43(38)31-25-45-46(26-31)32-11-10-12-34(22-32)49-35-15-16-37-36-13-8-9-14-40(36)47(41(37)23-35)42-24-33(48-7)17-18-44-42;/h8-18,21,24-28H,19-20H2,1-7H3;/q-2;+2.

What are the key properties of 2-[3-[4-[3,5-dimethyl-2,6-bis(2-methylpropyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

2-[3-[4-[3,5-dimethyl-2,6-bis(2-methylpropyl)phenyl]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 841.91 g/mol, XLogP of 10.44, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-[3,5-dimethyl-2,6-bis(2-methylpropyl)phenyl]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 153413624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).