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

C51H42N4O3Pt — CID 153414004

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

9-(4-methyl-2-pyridinyl)-2-[3-methyl-5-[4-[3,4,5-trimethyl-2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153414004) has the molecular formula C51H42N4O3Pt and a molecular weight of 954.00 g/mol. Its IUPAC name is 9-(4-methyl-2-pyridinyl)-2-[3-methyl-5-[4-[3,4,5-trimethyl-2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 9-(4-methyl-2-pyridinyl)-2-[3-methyl-5-[4-[3,4,5-trimethyl-2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153414004
• Molecular Formula: C51H42N4O3Pt
• Molecular Weight: 954.00 g/mol
• Exact Mass: 953.29
• IUPAC Name: 9-(4-methyl-2-pyridinyl)-2-[3-methyl-5-[4-[3,4,5-trimethyl-2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C)ccn2)[c-]c(-n2cc(-c3c(OCc4ccccc4)c(C)c(C)c(C)c3OCc3ccccc3)cn2)c1.[Pt+2]
• InChI: InChI=1S/C51H42N4O3.Pt/c1-33-22-23-52-48(26-33)55-46-19-13-12-18-44(46)45-21-20-42(28-47(45)55)58-43-25-34(2)24-41(27-43)54-30-40(29-53-54)49-50(56-31-38-14-8-6-9-15-38)36(4)35(3)37(5)51(49)57-32-39-16-10-7-11-17-39;/h6-26,29-30H,31-32H2,1-5H3;/q-2;+2
• InChIKey: VALWBGWCCVODRP-UHFFFAOYSA-N
• XLogP: 12.12
• TPSA: 63.33 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	954.00
LogP ≤ 5	12.12
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 9-(4-methyl-2-pyridinyl)-2-[3-methyl-5-[4-[3,4,5-trimethyl-2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 9-(4-methyl-2-pyridinyl)-2-[3-methyl-5-[4-[3,4,5-trimethyl-2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (CID 153414004) is 9-(4-methyl-2-pyridinyl)-2-[3-methyl-5-[4-[3,4,5-trimethyl-2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 9-(4-methyl-2-pyridinyl)-2-[3-methyl-5-[4-[3,4,5-trimethyl-2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is Cc1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C)ccn2)[c-]c(-n2cc(-c3c(OCc4ccccc4)c(C)c(C)c(C)c3OCc3ccccc3)cn2)c1.[Pt+2].

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

The InChIKey is VALWBGWCCVODRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H42N4O3.Pt/c1-33-22-23-52-48(26-33)55-46-19-13-12-18-44(46)45-21-20-42(28-47(45)55)58-43-25-34(2)24-41(27-43)54-30-40(29-53-54)49-50(56-31-38-14-8-6-9-15-38)36(4)35(3)37(5)51(49)57-32-39-16-10-7-11-17-39;/h6-26,29-30H,31-32H2,1-5H3;/q-2;+2.

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

9-(4-methyl-2-pyridinyl)-2-[3-methyl-5-[4-[3,4,5-trimethyl-2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 954.00 g/mol, XLogP of 12.12, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-methyl-2-pyridinyl)-2-[3-methyl-5-[4-[3,4,5-trimethyl-2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153414004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).