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

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

9-[5-(3-carbazol-9-ylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-5-phenyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 164726968) has the molecular formula C69H56N5OPt-3 and a molecular weight of 1166.32 g/mol. Its IUPAC name is 9-[5-(3-carbazol-9-ylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-5-phenyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

Compound Name	9-[5-(3-carbazol-9-ylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-5-phenyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
PubChem CID	164726968
Molecular Formula	C69H56N5OPt-3
Molecular Weight	1166.32 g/mol
Exact Mass	1165.41
IUPAC Name	9-[5-(3-carbazol-9-ylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-5-phenyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
SMILES	Cc1cc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6cc(C(C)(C)C)cc(C(C)(C)C)c6)c6cc(-c7ccccc7)ccc65)ccc4)ccc3c3ccccc32)ncc1-c1cccc(-n2c3ccccc3c3ccccc32)c1.[Pt]
InChI	InChI=1S/C69H56N5O.Pt/c1-45-35-67(70-43-60(45)48-21-17-23-52(36-48)73-61-28-14-11-25-56(61)57-26-12-15-29-62(57)73)74-63-30-16-13-27-58(63)59-33-32-55(42-65(59)74)75-54-24-18-22-51(41-54)71-44-72(53-39-49(68(2,3)4)38-50(40-53)69(5,6)7)66-37-47(31-34-64(66)71)46-19-9-8-10-20-46;/h8-40,43-44H,1-7H3;/q-3;
InChIKey	JKVWXBHJAXASQF-UHFFFAOYSA-N
XLogP	18.31
TPSA	38.46 Å²
H-Bond Donors
H-Bond Acceptors	6
Rotatable Bonds	8
Heavy Atoms	76
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1166.32
LogP ≤ 5	18.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

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

The IUPAC name of 9-[5-(3-carbazol-9-ylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-5-phenyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 164726968) is 9-[5-(3-carbazol-9-ylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-5-phenyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 9-[5-(3-carbazol-9-ylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-5-phenyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is Cc1cc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6cc(C(C)(C)C)cc(C(C)(C)C)c6)c6cc(-c7ccccc7)ccc65)ccc4)ccc3c3ccccc32)ncc1-c1cccc(-n2c3ccccc3c3ccccc32)c1.[Pt].

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

The InChIKey is JKVWXBHJAXASQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H56N5O.Pt/c1-45-35-67(70-43-60(45)48-21-17-23-52(36-48)73-61-28-14-11-25-56(61)57-26-12-15-29-62(57)73)74-63-30-16-13-27-58(63)59-33-32-55(42-65(59)74)75-54-24-18-22-51(41-54)71-44-72(53-39-49(68(2,3)4)38-50(40-53)69(5,6)7)66-37-47(31-34-64(66)71)46-19-9-8-10-20-46;/h8-40,43-44H,1-7H3;/q-3;.

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

9-[5-(3-carbazol-9-ylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-5-phenyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 1166.32 g/mol, XLogP of 18.31, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[5-(3-carbazol-9-ylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-5-phenyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 164726968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).