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

C68H45N6OPt-3 — CID 169288998

About 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-5-phenylbenzene-2-id-1-yl]oxy-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)-5-phenylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 169288998) 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)-5-phenylbenzene-2-id-1-yl]oxy-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)-5-phenylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 169288998
• 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)-5-phenylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• SMILES: Cc1cc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(C)c6ccccc65)cc(-c5ccccc5)c4)ccc3c3ccccc32)ncc1-c1c(-n2c3ccccc3c3ccccc32)cccc1-n1c2ccccc2c2ccccc21.[Pt]
• InChI: InChI=1S/C68H45N6O.Pt/c1-44-37-67(69-42-56(44)68-64(72-57-26-11-6-21-50(57)51-22-7-12-27-58(51)72)33-18-34-65(68)73-59-28-13-8-23-52(59)53-24-9-14-29-60(53)73)74-61-30-15-10-25-54(61)55-36-35-48(41-66(55)74)75-49-39-46(45-19-4-3-5-20-45)38-47(40-49)71-43-70(2)62-31-16-17-32-63(62)71;/h3-39,42-43H,1-2H3;/q-3
• InChIKey: LXQUHFAXXADQMP-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)-5-phenylbenzene-2-id-1-yl]oxy-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)-5-phenylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 169288998) is 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-5-phenylbenzene-2-id-1-yl]oxy-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)-5-phenylbenzene-2-id-1-yl]oxy-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)-5-phenylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is Cc1cc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(C)c6ccccc65)cc(-c5ccccc5)c4)ccc3c3ccccc32)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)-5-phenylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The InChIKey is LXQUHFAXXADQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H45N6O.Pt/c1-44-37-67(69-42-56(44)68-64(72-57-26-11-6-21-50(57)51-22-7-12-27-58(51)72)33-18-34-65(68)73-59-28-13-8-23-52(59)53-24-9-14-29-60(53)73)74-61-30-15-10-25-54(61)55-36-35-48(41-66(55)74)75-49-39-46(45-19-4-3-5-20-45)38-47(40-49)71-43-70(2)62-31-16-17-32-63(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)-5-phenylbenzene-2-id-1-yl]oxy-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)-5-phenylbenzene-2-id-1-yl]oxy-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)-5-phenylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 169288998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).