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

C₄₆H₄₈N₄OPt — CID 153414683

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

Platinum(2+);9-(4-propan-2-yl-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(2-methylpropyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide (PubChem CID 153414683) has the molecular formula C₄₆H₄₈N₄OPt and a molecular weight of 867.99 g/mol. Its IUPAC name is platinum(2+);9-(4-propan-2-yl-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(2-methylpropyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide.

Molecular Properties

• Compound Name: Platinum(2+);9-(4-propan-2-yl-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(2-methylpropyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide
• PubChem CID: 153414683
• Molecular Formula: C₄₆H₄₈N₄OPt
• Molecular Weight: 867.99 g/mol
• Exact Mass: 867.35
• IUPAC Name: platinum(2+);9-(4-propan-2-yl-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(2-methylpropyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide
• SMILES: Cc1c(C)c(CC(C)C)c(-c2cnn(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)C)ccn4)ccc3)c2)c(CC(C)C)c1C.[Pt+2]
• InChI: InChI=1S/C46H48N4O.Pt/c1-28(2)21-41-32(8)31(7)33(9)42(22-29(3)4)46(41)35-26-48-49(27-35)36-13-12-14-37(24-36)51-38-17-18-40-39-15-10-11-16-43(39)50(44(40)25-38)45-23-34(30(5)6)19-20-47-45;/h10-20,23,26-30H,21-22H2,1-9H3;/q-2;+2
• InChIKey: JNDAZGWDHJEPPU-UHFFFAOYSA-N
• XLogP: 11.87
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	867.99
LogP ≤ 5	11.87
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 Platinum(2+);9-(4-propan-2-yl-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(2-methylpropyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide?

The IUPAC name of Platinum(2+);9-(4-propan-2-yl-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(2-methylpropyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide (CID 153414683) is platinum(2+);9-(4-propan-2-yl-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(2-methylpropyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide.

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

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

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

The InChIKey is JNDAZGWDHJEPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H48N4O.Pt/c1-28(2)21-41-32(8)31(7)33(9)42(22-29(3)4)46(41)35-26-48-49(27-35)36-13-12-14-37(24-36)51-38-17-18-40-39-15-10-11-16-43(39)50(44(40)25-38)45-23-34(30(5)6)19-20-47-45;/h10-20,23,26-30H,21-22H2,1-9H3;/q-2;+2.

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

Platinum(2+);9-(4-propan-2-yl-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(2-methylpropyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide has a molecular weight of 867.99 g/mol, XLogP of 11.87, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Platinum(2+);9-(4-propan-2-yl-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(2-methylpropyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide is sourced from PubChem (CID 153414683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 153414683 — identifiers, structure, computed properties (public domain)

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