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

C91H74N5OPt-3 — CID 172545919

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

2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]-5-[9-(4-tert-butylphenyl)fluoren-9-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-3-carbazol-9-yl-1H-carbazol-1-ide;platinum (PubChem CID 172545919) has the molecular formula C91H74N5OPt-3 and a molecular weight of 1448.70 g/mol. Its IUPAC name is 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]-5-[9-(4-tert-butylphenyl)fluoren-9-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-3-carbazol-9-yl-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]-5-[9-(4-tert-butylphenyl)fluoren-9-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-3-carbazol-9-yl-1H-carbazol-1-ide;platinum
• PubChem CID: 172545919
• Molecular Formula: C91H74N5OPt-3
• Molecular Weight: 1448.70 g/mol
• Exact Mass: 1447.56
• IUPAC Name: 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]-5-[9-(4-tert-butylphenyl)fluoren-9-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-3-carbazol-9-yl-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1ccc(C2(c3cc(Oc4[c-]c5c(cc4-n4c6ccccc6c6ccccc64)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)[c-]c(N4[CH-]N(c5c(-c6ccccc6)cc(C(C)(C)C)cc5-c5ccccc5)c5ccccc54)c3)c3ccccc3-c3ccccc32)cc1.[Pt]
• InChI: InChI=1S/C91H74N5O.Pt/c1-88(2,3)61-44-46-62(47-45-61)91(76-37-21-16-32-68(76)69-33-17-22-38-77(69)91)65-50-66(93-58-94(82-43-27-26-42-81(82)93)87-73(59-28-12-10-13-29-59)52-64(90(7,8)9)53-74(87)60-30-14-11-15-31-60)55-67(51-65)97-85-57-83-75(56-84(85)95-78-39-23-18-34-70(78)71-35-19-24-40-79(71)95)72-36-20-25-41-80(72)96(83)86-54-63(48-49-92-86)89(4,5)6;/h10-54,56,58H,1-9H3;/q-3
• InChIKey: ZCDRHXKAZOTNND-UHFFFAOYSA-N
• XLogP: 23.66
• TPSA: 38.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1448.70
LogP ≤ 5	23.66
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 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]-5-[9-(4-tert-butylphenyl)fluoren-9-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-3-carbazol-9-yl-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]-5-[9-(4-tert-butylphenyl)fluoren-9-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-3-carbazol-9-yl-1H-carbazol-1-ide;platinum (CID 172545919) is 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]-5-[9-(4-tert-butylphenyl)fluoren-9-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-3-carbazol-9-yl-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]-5-[9-(4-tert-butylphenyl)fluoren-9-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-3-carbazol-9-yl-1H-carbazol-1-ide;platinum is CC(C)(C)c1ccc(C2(c3cc(Oc4[c-]c5c(cc4-n4c6ccccc6c6ccccc64)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)[c-]c(N4[CH-]N(c5c(-c6ccccc6)cc(C(C)(C)C)cc5-c5ccccc5)c5ccccc54)c3)c3ccccc3-c3ccccc32)cc1.[Pt].

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

The InChIKey is ZCDRHXKAZOTNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C91H74N5O.Pt/c1-88(2,3)61-44-46-62(47-45-61)91(76-37-21-16-32-68(76)69-33-17-22-38-77(69)91)65-50-66(93-58-94(82-43-27-26-42-81(82)93)87-73(59-28-12-10-13-29-59)52-64(90(7,8)9)53-74(87)60-30-14-11-15-31-60)55-67(51-65)97-85-57-83-75(56-84(85)95-78-39-23-18-34-70(78)71-35-19-24-40-79(71)95)72-36-20-25-41-80(72)96(83)86-54-63(48-49-92-86)89(4,5)6;/h10-54,56,58H,1-9H3;/q-3;.

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

2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]-5-[9-(4-tert-butylphenyl)fluoren-9-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-3-carbazol-9-yl-1H-carbazol-1-ide;platinum has a molecular weight of 1448.70 g/mol, XLogP of 23.66, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]-5-[9-(4-tert-butylphenyl)fluoren-9-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-3-carbazol-9-yl-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 172545919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).