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

C42H40N4OPt — CID 153417999

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

2-[3-[3,5-dimethyl-4-[4-methyl-2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153417999) has the molecular formula C42H40N4OPt and a molecular weight of 811.89 g/mol. Its IUPAC name is 2-[3-[3,5-dimethyl-4-[4-methyl-2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-[3,5-dimethyl-4-[4-methyl-2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153417999
• Molecular Formula: C42H40N4OPt
• Molecular Weight: 811.89 g/mol
• Exact Mass: 811.29
• IUPAC Name: 2-[3-[3,5-dimethyl-4-[4-methyl-2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)c(-c6c(C(C)C)cc(C)cc6C(C)C)c5C)ccc4)ccc3c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C42H40N4O.Pt/c1-25(2)36-20-28(6)21-37(26(3)4)42(36)41-29(7)44-46(30(41)8)31-12-11-13-32(23-31)47-33-16-17-35-34-14-9-10-15-38(34)45(39(35)24-33)40-22-27(5)18-19-43-40;/h9-22,25-26H,1-8H3;/q-2;+2
• InChIKey: GIFJJDGJPJNWQN-UHFFFAOYSA-N
• XLogP: 10.90
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	811.89
LogP ≤ 5	10.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3,5-dimethyl-4-[4-methyl-2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-[3,5-dimethyl-4-[4-methyl-2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153417999) is 2-[3-[3,5-dimethyl-4-[4-methyl-2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 2-[3-[3,5-dimethyl-4-[4-methyl-2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)c(-c6c(C(C)C)cc(C)cc6C(C)C)c5C)ccc4)ccc3c3ccccc32)c1.[Pt+2].

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

The InChIKey is GIFJJDGJPJNWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H40N4O.Pt/c1-25(2)36-20-28(6)21-37(26(3)4)42(36)41-29(7)44-46(30(41)8)31-12-11-13-32(23-31)47-33-16-17-35-34-14-9-10-15-38(34)45(39(35)24-33)40-22-27(5)18-19-43-40;/h9-22,25-26H,1-8H3;/q-2;+2.

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

2-[3-[3,5-dimethyl-4-[4-methyl-2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 811.89 g/mol, XLogP of 10.90, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3,5-dimethyl-4-[4-methyl-2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153417999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).