9-(4-tert-butyl-2-pyridinyl)-7-[[3-[4-(2,6-diphenylphenyl)-1,2,4-triazol-3-yl]benzene-2-id-1-yl]-diphenylmethyl]-8H-carbazol-8-ide-3-carbonitrile;platinum(2+)

C61H44N6Pt — CID 155635871

About 9-(4-tert-butyl-2-pyridinyl)-7-[[3-[4-(2,6-diphenylphenyl)-1,2,4-triazol-3-yl]benzene-2-id-1-yl]-diphenylmethyl]-8H-carbazol-8-ide-3-carbonitrile;platinum(2+)

9-(4-tert-butyl-2-pyridinyl)-7-[[3-[4-(2,6-diphenylphenyl)-1,2,4-triazol-3-yl]benzene-2-id-1-yl]-diphenylmethyl]-8H-carbazol-8-ide-3-carbonitrile;platinum(2+) (PubChem CID 155635871) has the molecular formula C61H44N6Pt and a molecular weight of 1056.14 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-7-[[3-[4-(2,6-diphenylphenyl)-1,2,4-triazol-3-yl]benzene-2-id-1-yl]-diphenylmethyl]-8H-carbazol-8-ide-3-carbonitrile;platinum(2+).

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-7-[[3-[4-(2,6-diphenylphenyl)-1,2,4-triazol-3-yl]benzene-2-id-1-yl]-diphenylmethyl]-8H-carbazol-8-ide-3-carbonitrile;platinum(2+)
• PubChem CID: 155635871
• Molecular Formula: C61H44N6Pt
• Molecular Weight: 1056.14 g/mol
• Exact Mass: 1055.33
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-7-[[3-[4-(2,6-diphenylphenyl)-1,2,4-triazol-3-yl]benzene-2-id-1-yl]-diphenylmethyl]-8H-carbazol-8-ide-3-carbonitrile;platinum(2+)
• SMILES: CC(C)(C)c1ccnc(-n2c3[c-]c(C(c4[c-]c(-c5nncn5-c5c(-c6ccccc6)cccc5-c5ccccc5)ccc4)(c4ccccc4)c4ccccc4)ccc3c3cc(C#N)ccc32)c1.[Pt+2]
• InChI: InChI=1S/C61H44N6.Pt/c1-60(2,3)48-34-35-63-57(39-48)67-55-33-30-42(40-62)36-54(55)53-32-31-50(38-56(53)67)61(46-23-12-6-13-24-46,47-25-14-7-15-26-47)49-27-16-22-45(37-49)59-65-64-41-66(59)58-51(43-18-8-4-9-19-43)28-17-29-52(58)44-20-10-5-11-21-44;/h4-36,39,41H,1-3H3;/q-2;+2
• InChIKey: JKRZREQVWKXRLO-UHFFFAOYSA-N
• XLogP: 13.91
• TPSA: 72.32 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1056.14
LogP ≤ 5	13.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-7-[[3-[4-(2,6-diphenylphenyl)-1,2,4-triazol-3-yl]benzene-2-id-1-yl]-diphenylmethyl]-8H-carbazol-8-ide-3-carbonitrile;platinum(2+)?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-7-[[3-[4-(2,6-diphenylphenyl)-1,2,4-triazol-3-yl]benzene-2-id-1-yl]-diphenylmethyl]-8H-carbazol-8-ide-3-carbonitrile;platinum(2+) (CID 155635871) is 9-(4-tert-butyl-2-pyridinyl)-7-[[3-[4-(2,6-diphenylphenyl)-1,2,4-triazol-3-yl]benzene-2-id-1-yl]-diphenylmethyl]-8H-carbazol-8-ide-3-carbonitrile;platinum(2+).

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-7-[[3-[4-(2,6-diphenylphenyl)-1,2,4-triazol-3-yl]benzene-2-id-1-yl]-diphenylmethyl]-8H-carbazol-8-ide-3-carbonitrile;platinum(2+)?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-7-[[3-[4-(2,6-diphenylphenyl)-1,2,4-triazol-3-yl]benzene-2-id-1-yl]-diphenylmethyl]-8H-carbazol-8-ide-3-carbonitrile;platinum(2+) is CC(C)(C)c1ccnc(-n2c3[c-]c(C(c4[c-]c(-c5nncn5-c5c(-c6ccccc6)cccc5-c5ccccc5)ccc4)(c4ccccc4)c4ccccc4)ccc3c3cc(C#N)ccc32)c1.[Pt+2].

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-7-[[3-[4-(2,6-diphenylphenyl)-1,2,4-triazol-3-yl]benzene-2-id-1-yl]-diphenylmethyl]-8H-carbazol-8-ide-3-carbonitrile;platinum(2+)?

The InChIKey is JKRZREQVWKXRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H44N6.Pt/c1-60(2,3)48-34-35-63-57(39-48)67-55-33-30-42(40-62)36-54(55)53-32-31-50(38-56(53)67)61(46-23-12-6-13-24-46,47-25-14-7-15-26-47)49-27-16-22-45(37-49)59-65-64-41-66(59)58-51(43-18-8-4-9-19-43)28-17-29-52(58)44-20-10-5-11-21-44;/h4-36,39,41H,1-3H3;/q-2;+2.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-7-[[3-[4-(2,6-diphenylphenyl)-1,2,4-triazol-3-yl]benzene-2-id-1-yl]-diphenylmethyl]-8H-carbazol-8-ide-3-carbonitrile;platinum(2+)?

9-(4-tert-butyl-2-pyridinyl)-7-[[3-[4-(2,6-diphenylphenyl)-1,2,4-triazol-3-yl]benzene-2-id-1-yl]-diphenylmethyl]-8H-carbazol-8-ide-3-carbonitrile;platinum(2+) has a molecular weight of 1056.14 g/mol, XLogP of 13.91, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-7-[[3-[4-(2,6-diphenylphenyl)-1,2,4-triazol-3-yl]benzene-2-id-1-yl]-diphenylmethyl]-8H-carbazol-8-ide-3-carbonitrile;platinum(2+) is sourced from PubChem (CID 155635871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).