2-[1-phenyl-4-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzimidazol-2-yl]phenol;platinum

C36H23N4OPt- — CID 164823645

IUPAC2-[1-phenyl-4-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzimidazol-2-yl]phenol;platinum
SMILESOc1ccccc1-c1nc2c(-c3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)cccc2n1-c1ccccc1.[Pt]
InChIInChI=1S/C36H23N4O.Pt/c41-33-18-7-5-14-29(33)36-38-35-26(15-10-17-31(35)39(36)25-11-2-1-3-12-25)24-20-21-28-27-13-4-6-16-30(27)40(32(28)23-24)34-19-8-9-22-37-34;/h1-22,41H;/q-1;
InChIKeyDFZKKQXYBRJKOL-UHFFFAOYSA-N
MW722.69 g/mol
LogP8.35
Rot. Bonds4

About 2-[1-phenyl-4-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzimidazol-2-yl]phenol;platinum

2-[1-phenyl-4-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzimidazol-2-yl]phenol;platinum (PubChem CID 164823645) has the molecular formula C36H23N4OPt- and a molecular weight of 722.69 g/mol. Its IUPAC name is 2-[1-phenyl-4-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzimidazol-2-yl]phenol;platinum.

Molecular Properties

Compound Name2-[1-phenyl-4-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzimidazol-2-yl]phenol;platinum
PubChem CID164823645
Molecular FormulaC36H23N4OPt-
Molecular Weight722.69 g/mol
Exact Mass722.15
IUPAC Name2-[1-phenyl-4-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzimidazol-2-yl]phenol;platinum
SMILESOc1ccccc1-c1nc2c(-c3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)cccc2n1-c1ccccc1.[Pt]
InChIInChI=1S/C36H23N4O.Pt/c41-33-18-7-5-14-29(33)36-38-35-26(15-10-17-31(35)39(36)25-11-2-1-3-12-25)24-20-21-28-27-13-4-6-16-30(27)40(32(28)23-24)34-19-8-9-22-37-34;/h1-22,41H;/q-1;
InChIKeyDFZKKQXYBRJKOL-UHFFFAOYSA-N
XLogP8.35
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.69
LogP ≤ 58.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[1-phenyl-2-(7-phenylcarbazol-9-id-1-yl)benzimidazol-4-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
CID 176642871
2-[2-carbazol-9-id-1-yl-1-(4-methylphenyl)benzimidazol-4-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
CID 176643174
3-tert-butyl-7-methyl-1-[1-phenyl-4-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzimidazol-2-yl]carbazol-9-ide;platinum(2+)
CID 176642920
2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-6-(2,6-dimethylphenyl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
CID 176643282
2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
CID 176642473
platinum;2-[9-(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]phenol
CID 164823524
2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9-pyridin-2-yl-6-(2,4,6-trimethylphenyl)-1H-carbazol-1-ide;platinum(2+)
CID 176642958
7-tert-butyl-2-[2-(3-methylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
CID 176642496
6-tert-butyl-2-[2-(4-methylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
CID 176643113
2-[2-carbazol-9-id-1-yl-1-(2-methylphenyl)benzimidazol-4-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
CID 176642809
2-[2-(3-tert-butyl-7-methylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]-6-(2-phenylpropan-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
CID 176642905
10-[4-(7-tert-butyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1-phenylbenzimidazol-2-yl]-[1]benzofuro[3,2-b]carbazol-11-ide;platinum(2+)
CID 176643291

Frequently Asked Questions

What is the IUPAC name of 2-[1-phenyl-4-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzimidazol-2-yl]phenol;platinum?
The IUPAC name of 2-[1-phenyl-4-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzimidazol-2-yl]phenol;platinum (CID 164823645) is 2-[1-phenyl-4-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzimidazol-2-yl]phenol;platinum.
What is the SMILES notation for 2-[1-phenyl-4-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzimidazol-2-yl]phenol;platinum?
The canonical SMILES for 2-[1-phenyl-4-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzimidazol-2-yl]phenol;platinum is Oc1ccccc1-c1nc2c(-c3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)cccc2n1-c1ccccc1.[Pt].
What is the InChIKey of 2-[1-phenyl-4-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzimidazol-2-yl]phenol;platinum?
The InChIKey is DFZKKQXYBRJKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23N4O.Pt/c41-33-18-7-5-14-29(33)36-38-35-26(15-10-17-31(35)39(36)25-11-2-1-3-12-25)24-20-21-28-27-13-4-6-16-30(27)40(32(28)23-24)34-19-8-9-22-37-34;/h1-22,41H;/q-1;.
What are the key properties of 2-[1-phenyl-4-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzimidazol-2-yl]phenol;platinum?
2-[1-phenyl-4-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzimidazol-2-yl]phenol;platinum has a molecular weight of 722.69 g/mol, XLogP of 8.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-phenyl-4-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 164823645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).