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

C45H46N4OPt — CID 153414177

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

2-[3-butan-2-yl-5-[4-(2,3,4,5,6-pentamethylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153414177) has the molecular formula C45H46N4OPt and a molecular weight of 853.97 g/mol. Its IUPAC name is 2-[3-butan-2-yl-5-[4-(2,3,4,5,6-pentamethylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-butan-2-yl-5-[4-(2,3,4,5,6-pentamethylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153414177
• Molecular Formula: C45H46N4OPt
• Molecular Weight: 853.97 g/mol
• Exact Mass: 853.33
• IUPAC Name: 2-[3-butan-2-yl-5-[4-(2,3,4,5,6-pentamethylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
• SMILES: CCC(C)c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(CC(C)C)ccn2)[c-]c(-n2cc(-c3c(C)c(C)c(C)c(C)c3C)cn2)c1.[Pt+2]
• InChI: InChI=1S/C45H46N4O.Pt/c1-10-28(4)35-21-37(48-26-36(25-47-48)45-32(8)30(6)29(5)31(7)33(45)9)23-39(22-35)50-38-15-16-41-40-13-11-12-14-42(40)49(43(41)24-38)44-20-34(17-18-46-44)19-27(2)3;/h11-18,20-22,25-28H,10,19H2,1-9H3;/q-2;+2
• InChIKey: ATOADTBKLVNNGM-UHFFFAOYSA-N
• XLogP: 11.68
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	853.97
LogP ≤ 5	11.68
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-butan-2-yl-5-[4-(2,3,4,5,6-pentamethylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-butan-2-yl-5-[4-(2,3,4,5,6-pentamethylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) (CID 153414177) is 2-[3-butan-2-yl-5-[4-(2,3,4,5,6-pentamethylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 2-[3-butan-2-yl-5-[4-(2,3,4,5,6-pentamethylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) is CCC(C)c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(CC(C)C)ccn2)[c-]c(-n2cc(-c3c(C)c(C)c(C)c(C)c3C)cn2)c1.[Pt+2].

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

The InChIKey is ATOADTBKLVNNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H46N4O.Pt/c1-10-28(4)35-21-37(48-26-36(25-47-48)45-32(8)30(6)29(5)31(7)33(45)9)23-39(22-35)50-38-15-16-41-40-13-11-12-14-42(40)49(43(41)24-38)44-20-34(17-18-46-44)19-27(2)3;/h11-18,20-22,25-28H,10,19H2,1-9H3;/q-2;+2.

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

2-[3-butan-2-yl-5-[4-(2,3,4,5,6-pentamethylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 853.97 g/mol, XLogP of 11.68, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-butan-2-yl-5-[4-(2,3,4,5,6-pentamethylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153414177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).