platinum(2+);N,N,3,5-tetramethyl-4-[3-methyl-5-(2-methylpropyl)-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]aniline

C42H41N5OPt — CID 153416685

About platinum(2+);N,N,3,5-tetramethyl-4-[3-methyl-5-(2-methylpropyl)-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]aniline

platinum(2+);N,N,3,5-tetramethyl-4-[3-methyl-5-(2-methylpropyl)-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]aniline (PubChem CID 153416685) has the molecular formula C42H41N5OPt and a molecular weight of 826.90 g/mol. Its IUPAC name is platinum(2+);N,N,3,5-tetramethyl-4-[3-methyl-5-(2-methylpropyl)-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]aniline.

Molecular Properties

• Compound Name: platinum(2+);N,N,3,5-tetramethyl-4-[3-methyl-5-(2-methylpropyl)-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]aniline
• PubChem CID: 153416685
• Molecular Formula: C42H41N5OPt
• Molecular Weight: 826.90 g/mol
• Exact Mass: 826.30
• IUPAC Name: platinum(2+);N,N,3,5-tetramethyl-4-[3-methyl-5-(2-methylpropyl)-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]aniline
• SMILES: Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)c(-c6c(C)cc(N(C)C)cc6C)c5CC(C)C)ccc4)ccc3c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C42H41N5O.Pt/c1-26(2)20-39-42(41-28(4)22-32(45(7)8)23-29(41)5)30(6)44-47(39)31-12-11-13-33(24-31)48-34-16-17-36-35-14-9-10-15-37(35)46(38(36)25-34)40-21-27(3)18-19-43-40;/h9-19,21-23,26H,20H2,1-8H3;/q-2;+2
• InChIKey: TYQWQAVFSIOPPU-UHFFFAOYSA-N
• XLogP: 9.92
• TPSA: 48.11 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	826.90
LogP ≤ 5	9.92
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 platinum(2+);N,N,3,5-tetramethyl-4-[3-methyl-5-(2-methylpropyl)-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]aniline?

The IUPAC name of platinum(2+);N,N,3,5-tetramethyl-4-[3-methyl-5-(2-methylpropyl)-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]aniline (CID 153416685) is platinum(2+);N,N,3,5-tetramethyl-4-[3-methyl-5-(2-methylpropyl)-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]aniline.

What is the SMILES notation for platinum(2+);N,N,3,5-tetramethyl-4-[3-methyl-5-(2-methylpropyl)-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]aniline?

The canonical SMILES for platinum(2+);N,N,3,5-tetramethyl-4-[3-methyl-5-(2-methylpropyl)-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]aniline is Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)c(-c6c(C)cc(N(C)C)cc6C)c5CC(C)C)ccc4)ccc3c3ccccc32)c1.[Pt+2].

What is the InChIKey of platinum(2+);N,N,3,5-tetramethyl-4-[3-methyl-5-(2-methylpropyl)-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]aniline?

The InChIKey is TYQWQAVFSIOPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H41N5O.Pt/c1-26(2)20-39-42(41-28(4)22-32(45(7)8)23-29(41)5)30(6)44-47(39)31-12-11-13-33(24-31)48-34-16-17-36-35-14-9-10-15-37(35)46(38(36)25-34)40-21-27(3)18-19-43-40;/h9-19,21-23,26H,20H2,1-8H3;/q-2;+2.

What are the key properties of platinum(2+);N,N,3,5-tetramethyl-4-[3-methyl-5-(2-methylpropyl)-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]aniline?

platinum(2+);N,N,3,5-tetramethyl-4-[3-methyl-5-(2-methylpropyl)-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]aniline has a molecular weight of 826.90 g/mol, XLogP of 9.92, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for platinum(2+);N,N,3,5-tetramethyl-4-[3-methyl-5-(2-methylpropyl)-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]aniline is sourced from PubChem (CID 153416685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).