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

C45H46N4O2Pt — CID 153413564

About 2-[3-[4-[3,5-dimethyl-2,6-bis(3-methylbutyl)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(3-methylbutyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153413564) has the molecular formula C45H46N4O2Pt and a molecular weight of 869.97 g/mol. Its IUPAC name is 2-[3-[4-[3,5-dimethyl-2,6-bis(3-methylbutyl)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(3-methylbutyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153413564
• Molecular Formula: C45H46N4O2Pt
• Molecular Weight: 869.97 g/mol
• Exact Mass: 869.33
• IUPAC Name: 2-[3-[4-[3,5-dimethyl-2,6-bis(3-methylbutyl)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(CCC(C)C)c(C)cc(C)c6CCC(C)C)cn5)ccc4)ccc3c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C45H46N4O2.Pt/c1-29(2)15-18-38-31(5)23-32(6)39(19-16-30(3)4)45(38)33-27-47-48(28-33)34-11-10-12-36(24-34)51-37-17-20-41-40-13-8-9-14-42(40)49(43(41)25-37)44-26-35(50-7)21-22-46-44;/h8-14,17,20-23,26-30H,15-16,18-19H2,1-7H3;/q-2;+2
• InChIKey: IVXDURHBNQOJOM-UHFFFAOYSA-N
• XLogP: 11.22
• TPSA: 54.10 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	869.97
LogP ≤ 5	11.22
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(3-methylbutyl)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(3-methylbutyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153413564) is 2-[3-[4-[3,5-dimethyl-2,6-bis(3-methylbutyl)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(3-methylbutyl)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(3-methylbutyl)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(CCC(C)C)c(C)cc(C)c6CCC(C)C)cn5)ccc4)ccc3c3ccccc32)c1.[Pt+2].

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

The InChIKey is IVXDURHBNQOJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H46N4O2.Pt/c1-29(2)15-18-38-31(5)23-32(6)39(19-16-30(3)4)45(38)33-27-47-48(28-33)34-11-10-12-36(24-34)51-37-17-20-41-40-13-8-9-14-42(40)49(43(41)25-37)44-26-35(50-7)21-22-46-44;/h8-14,17,20-23,26-30H,15-16,18-19H2,1-7H3;/q-2;+2.

What are the key properties of 2-[3-[4-[3,5-dimethyl-2,6-bis(3-methylbutyl)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(3-methylbutyl)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 869.97 g/mol, XLogP of 11.22, 12 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(3-methylbutyl)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 153413564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).