9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum

C68H45N6OPt-3 — CID 169289116

About 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum

9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum (PubChem CID 169289116) has the molecular formula C68H45N6OPt-3 and a molecular weight of 1157.23 g/mol. Its IUPAC name is 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum
• PubChem CID: 169289116
• Molecular Formula: C68H45N6OPt-3
• Molecular Weight: 1157.23 g/mol
• Exact Mass: 1156.33
• IUPAC Name: 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum
• SMILES: Cc1cc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(C)c6ccccc65)ccc4)ccc3c3cc(-c4ccccc4)ccc32)ncc1-c1c(-n2c3ccccc3c3ccccc32)cccc1-n1c2ccccc2c2ccccc21.[Pt]
• InChI: InChI=1S/C68H45N6O.Pt/c1-44-38-67(69-42-56(44)68-64(72-57-26-10-6-22-50(57)51-23-7-11-27-58(51)72)32-17-33-65(68)73-59-28-12-8-24-52(59)53-25-9-13-29-60(53)73)74-61-37-34-46(45-18-4-3-5-19-45)39-55(61)54-36-35-49(41-66(54)74)75-48-21-16-20-47(40-48)71-43-70(2)62-30-14-15-31-63(62)71;/h3-39,42-43H,1-2H3;/q-3
• InChIKey: XMPXBTUIDWJUAS-UHFFFAOYSA-N
• XLogP: 17.11
• TPSA: 43.39 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1157.23
LogP ≤ 5	17.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum (CID 169289116) is 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum?

The canonical SMILES for 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum is Cc1cc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(C)c6ccccc65)ccc4)ccc3c3cc(-c4ccccc4)ccc32)ncc1-c1c(-n2c3ccccc3c3ccccc32)cccc1-n1c2ccccc2c2ccccc21.[Pt].

What is the InChIKey of 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum?

The InChIKey is XMPXBTUIDWJUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H45N6O.Pt/c1-44-38-67(69-42-56(44)68-64(72-57-26-10-6-22-50(57)51-23-7-11-27-58(51)72)32-17-33-65(68)73-59-28-12-8-24-52(59)53-25-9-13-29-60(53)73)74-61-37-34-46(45-18-4-3-5-19-45)39-55(61)54-36-35-49(41-66(54)74)75-48-21-16-20-47(40-48)71-43-70(2)62-30-14-15-31-63(62)71;/h3-39,42-43H,1-2H3;/q-3;.

What are the key properties of 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum?

9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum has a molecular weight of 1157.23 g/mol, XLogP of 17.11, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 169289116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).