2-tert-butyl-4-[4-[6-methyl-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-1-phenylbenzimidazol-2-yl]-[1]benzofuro[3,2-c]carbazol-5-ide;platinum(2+)

C54H36F3N5OPt — CID 176643383

About 2-tert-butyl-4-[4-[6-methyl-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-1-phenylbenzimidazol-2-yl]-[1]benzofuro[3,2-c]carbazol-5-ide;platinum(2+)

2-tert-butyl-4-[4-[6-methyl-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-1-phenylbenzimidazol-2-yl]-[1]benzofuro[3,2-c]carbazol-5-ide;platinum(2+) (PubChem CID 176643383) has the molecular formula C54H36F3N5OPt and a molecular weight of 1022.99 g/mol. Its IUPAC name is 2-tert-butyl-4-[4-[6-methyl-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-1-phenylbenzimidazol-2-yl]-[1]benzofuro[3,2-c]carbazol-5-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-tert-butyl-4-[4-[6-methyl-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-1-phenylbenzimidazol-2-yl]-[1]benzofuro[3,2-c]carbazol-5-ide;platinum(2+)
• PubChem CID: 176643383
• Molecular Formula: C54H36F3N5OPt
• Molecular Weight: 1022.99 g/mol
• Exact Mass: 1022.25
• IUPAC Name: 2-tert-butyl-4-[4-[6-methyl-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-1-phenylbenzimidazol-2-yl]-[1]benzofuro[3,2-c]carbazol-5-ide;platinum(2+)
• SMILES: Cc1ccc2c(c1)c1ccc(-c3cccc4c3nc(-c3cc(C(C)(C)C)cc5c3[n-]c3ccc6c7ccccc7oc6c35)n4-c3ccccc3)[c-]c1n2-c1cc(C(F)(F)F)ccn1.[Pt+2]
• InChI: InChI=1S/C54H36F3N5O.Pt/c1-30-17-22-43-39(25-30)36-19-18-31(26-45(36)62(43)47-29-32(23-24-58-47)54(55,56)57)35-14-10-15-44-50(35)60-52(61(44)34-11-6-5-7-12-34)41-28-33(53(2,3)4)27-40-48-42(59-49(40)41)21-20-38-37-13-8-9-16-46(37)63-51(38)48;/h5-25,27-29H,1-4H3;/q-2;+2
• InChIKey: YNSCSZZNGKHEJJ-UHFFFAOYSA-N
• XLogP: 14.44
• TPSA: 62.88 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1022.99
LogP ≤ 5	14.44
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-tert-butyl-4-[4-[6-methyl-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-1-phenylbenzimidazol-2-yl]-[1]benzofuro[3,2-c]carbazol-5-ide;platinum(2+)?

The IUPAC name of 2-tert-butyl-4-[4-[6-methyl-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-1-phenylbenzimidazol-2-yl]-[1]benzofuro[3,2-c]carbazol-5-ide;platinum(2+) (CID 176643383) is 2-tert-butyl-4-[4-[6-methyl-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-1-phenylbenzimidazol-2-yl]-[1]benzofuro[3,2-c]carbazol-5-ide;platinum(2+).

What is the SMILES notation for 2-tert-butyl-4-[4-[6-methyl-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-1-phenylbenzimidazol-2-yl]-[1]benzofuro[3,2-c]carbazol-5-ide;platinum(2+)?

The canonical SMILES for 2-tert-butyl-4-[4-[6-methyl-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-1-phenylbenzimidazol-2-yl]-[1]benzofuro[3,2-c]carbazol-5-ide;platinum(2+) is Cc1ccc2c(c1)c1ccc(-c3cccc4c3nc(-c3cc(C(C)(C)C)cc5c3[n-]c3ccc6c7ccccc7oc6c35)n4-c3ccccc3)[c-]c1n2-c1cc(C(F)(F)F)ccn1.[Pt+2].

What is the InChIKey of 2-tert-butyl-4-[4-[6-methyl-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-1-phenylbenzimidazol-2-yl]-[1]benzofuro[3,2-c]carbazol-5-ide;platinum(2+)?

The InChIKey is YNSCSZZNGKHEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36F3N5O.Pt/c1-30-17-22-43-39(25-30)36-19-18-31(26-45(36)62(43)47-29-32(23-24-58-47)54(55,56)57)35-14-10-15-44-50(35)60-52(61(44)34-11-6-5-7-12-34)41-28-33(53(2,3)4)27-40-48-42(59-49(40)41)21-20-38-37-13-8-9-16-46(37)63-51(38)48;/h5-25,27-29H,1-4H3;/q-2;+2.

What are the key properties of 2-tert-butyl-4-[4-[6-methyl-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-1-phenylbenzimidazol-2-yl]-[1]benzofuro[3,2-c]carbazol-5-ide;platinum(2+)?

2-tert-butyl-4-[4-[6-methyl-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-1-phenylbenzimidazol-2-yl]-[1]benzofuro[3,2-c]carbazol-5-ide;platinum(2+) has a molecular weight of 1022.99 g/mol, XLogP of 14.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-4-[4-[6-methyl-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-1-phenylbenzimidazol-2-yl]-[1]benzofuro[3,2-c]carbazol-5-ide;platinum(2+) is sourced from PubChem (CID 176643383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).