2-[3-[4-[2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

C48H36N4O3Pt — CID 153412929

About 2-[3-[4-[2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

2-[3-[4-[2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153412929) has the molecular formula C48H36N4O3Pt and a molecular weight of 911.92 g/mol. Its IUPAC name is 2-[3-[4-[2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-[4-[2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153412929
• Molecular Formula: C48H36N4O3Pt
• Molecular Weight: 911.92 g/mol
• Exact Mass: 911.24
• IUPAC Name: 2-[3-[4-[2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C)ccn2)[c-]c(-n2cc(-c3c(OCc4ccccc4)cccc3OCc3ccccc3)cn2)c1.[Pt+2]
• InChI: InChI=1S/C48H36N4O3.Pt/c1-33-22-23-49-47(26-33)52-43-17-10-9-16-41(43)42-21-20-39(28-44(42)52)55-40-25-34(2)24-38(27-40)51-30-37(29-50-51)48-45(53-31-35-12-5-3-6-13-35)18-11-19-46(48)54-32-36-14-7-4-8-15-36;/h3-26,29-30H,31-32H2,1-2H3;/q-2;+2
• InChIKey: BCQXJMJKYDTCED-UHFFFAOYSA-N
• XLogP: 11.20
• TPSA: 63.33 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	911.92
LogP ≤ 5	11.20
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 2-[3-[4-[2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-[4-[2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153412929) is 2-[3-[4-[2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 2-[3-[4-[2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 2-[3-[4-[2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is Cc1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C)ccn2)[c-]c(-n2cc(-c3c(OCc4ccccc4)cccc3OCc3ccccc3)cn2)c1.[Pt+2].

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

The InChIKey is BCQXJMJKYDTCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36N4O3.Pt/c1-33-22-23-49-47(26-33)52-43-17-10-9-16-41(43)42-21-20-39(28-44(42)52)55-40-25-34(2)24-38(27-40)51-30-37(29-50-51)48-45(53-31-35-12-5-3-6-13-35)18-11-19-46(48)54-32-36-14-7-4-8-15-36;/h3-26,29-30H,31-32H2,1-2H3;/q-2;+2.

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

2-[3-[4-[2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 911.92 g/mol, XLogP of 11.20, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-[2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153412929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).