2-[3-[9-(4-tert-butylphenyl)-2-fluorofluoren-9-yl]-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum

C75H58FN4OPt-3 — CID 172545716

About 2-[3-[9-(4-tert-butylphenyl)-2-fluorofluoren-9-yl]-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum

2-[3-[9-(4-tert-butylphenyl)-2-fluorofluoren-9-yl]-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 172545716) has the molecular formula C75H58FN4OPt-3 and a molecular weight of 1245.39 g/mol. Its IUPAC name is 2-[3-[9-(4-tert-butylphenyl)-2-fluorofluoren-9-yl]-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[9-(4-tert-butylphenyl)-2-fluorofluoren-9-yl]-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 172545716
• Molecular Formula: C75H58FN4OPt-3
• Molecular Weight: 1245.39 g/mol
• Exact Mass: 1244.43
• IUPAC Name: 2-[3-[9-(4-tert-butylphenyl)-2-fluorofluoren-9-yl]-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1ccc(C2(c3cc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)[c-]c(N4[CH-]N(c5c(-c6ccccc6)cccc5-c5ccccc5)c5ccccc54)c3)c3ccccc3-c3ccc(F)cc32)cc1.[Pt]
• InChI: InChI=1S/C75H58FN4O.Pt/c1-73(2,3)51-32-34-52(35-33-51)75(65-28-15-13-24-61(65)62-38-36-55(76)45-66(62)75)54-42-56(46-58(43-54)81-57-37-39-64-63-25-14-16-29-67(63)80(70(64)47-57)71-44-53(40-41-77-71)74(4,5)6)78-48-79(69-31-18-17-30-68(69)78)72-59(49-20-9-7-10-21-49)26-19-27-60(72)50-22-11-8-12-23-50;/h7-45,48H,1-6H3;/q-3
• InChIKey: KDVVTQZYYURXIS-UHFFFAOYSA-N
• XLogP: 19.41
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1245.39
LogP ≤ 5	19.41
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-[9-(4-tert-butylphenyl)-2-fluorofluoren-9-yl]-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[9-(4-tert-butylphenyl)-2-fluorofluoren-9-yl]-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 172545716) is 2-[3-[9-(4-tert-butylphenyl)-2-fluorofluoren-9-yl]-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[3-[9-(4-tert-butylphenyl)-2-fluorofluoren-9-yl]-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-[9-(4-tert-butylphenyl)-2-fluorofluoren-9-yl]-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is CC(C)(C)c1ccc(C2(c3cc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)[c-]c(N4[CH-]N(c5c(-c6ccccc6)cccc5-c5ccccc5)c5ccccc54)c3)c3ccccc3-c3ccc(F)cc32)cc1.[Pt].

What is the InChIKey of 2-[3-[9-(4-tert-butylphenyl)-2-fluorofluoren-9-yl]-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The InChIKey is KDVVTQZYYURXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H58FN4O.Pt/c1-73(2,3)51-32-34-52(35-33-51)75(65-28-15-13-24-61(65)62-38-36-55(76)45-66(62)75)54-42-56(46-58(43-54)81-57-37-39-64-63-25-14-16-29-67(63)80(70(64)47-57)71-44-53(40-41-77-71)74(4,5)6)78-48-79(69-31-18-17-30-68(69)78)72-59(49-20-9-7-10-21-49)26-19-27-60(72)50-22-11-8-12-23-50;/h7-45,48H,1-6H3;/q-3;.

What are the key properties of 2-[3-[9-(4-tert-butylphenyl)-2-fluorofluoren-9-yl]-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

2-[3-[9-(4-tert-butylphenyl)-2-fluorofluoren-9-yl]-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 1245.39 g/mol, XLogP of 19.41, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[9-(4-tert-butylphenyl)-2-fluorofluoren-9-yl]-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 172545716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).