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

C50H52N4OPt — CID 153414395

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

2-[3-[4-(2,6-dicyclohexyl-3,4,5-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153414395) has the molecular formula C50H52N4OPt and a molecular weight of 920.07 g/mol. Its IUPAC name is 2-[3-[4-(2,6-dicyclohexyl-3,4,5-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-[4-(2,6-dicyclohexyl-3,4,5-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153414395
• Molecular Formula: C50H52N4OPt
• Molecular Weight: 920.07 g/mol
• Exact Mass: 919.38
• IUPAC Name: 2-[3-[4-(2,6-dicyclohexyl-3,4,5-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1c(C)c(C2CCCCC2)c(-c2cnn(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)C)ccn4)ccc3)c2)c(C2CCCCC2)c1C.[Pt+2]
• InChI: InChI=1S/C50H52N4O.Pt/c1-32(2)38-25-26-51-47(27-38)54-45-22-13-12-21-43(45)44-24-23-42(29-46(44)54)55-41-20-14-19-40(28-41)53-31-39(30-52-53)50-48(36-15-8-6-9-16-36)34(4)33(3)35(5)49(50)37-17-10-7-11-18-37;/h12-14,19-27,30-32,36-37H,6-11,15-18H2,1-5H3;/q-2;+2
• InChIKey: LHHMZDKZADIIBK-UHFFFAOYSA-N
• XLogP: 13.57
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	920.07
LogP ≤ 5	13.57
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-[4-(2,6-dicyclohexyl-3,4,5-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-[4-(2,6-dicyclohexyl-3,4,5-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153414395) is 2-[3-[4-(2,6-dicyclohexyl-3,4,5-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 2-[3-[4-(2,6-dicyclohexyl-3,4,5-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is Cc1c(C)c(C2CCCCC2)c(-c2cnn(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)C)ccn4)ccc3)c2)c(C2CCCCC2)c1C.[Pt+2].

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

The InChIKey is LHHMZDKZADIIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H52N4O.Pt/c1-32(2)38-25-26-51-47(27-38)54-45-22-13-12-21-43(45)44-24-23-42(29-46(44)54)55-41-20-14-19-40(28-41)53-31-39(30-52-53)50-48(36-15-8-6-9-16-36)34(4)33(3)35(5)49(50)37-17-10-7-11-18-37;/h12-14,19-27,30-32,36-37H,6-11,15-18H2,1-5H3;/q-2;+2.

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

2-[3-[4-(2,6-dicyclohexyl-3,4,5-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 920.07 g/mol, XLogP of 13.57, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-(2,6-dicyclohexyl-3,4,5-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153414395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).