2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-6-propan-2-yl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)

C52H35F2N5Pt — CID 176642717

IUPAC2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-6-propan-2-yl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
SMILESCC(C)c1cc2c3ccc(-c4cccc5c4nc(-c4cccc6c4[n-]c4ccccc46)n5-c4ccccc4)[c-]c3n(-c3ccccn3)c2cc1C(F)(F)c1ccccc1.[Pt+2]
InChIInChI=1S/C52H35F2N5.Pt/c1-32(2)41-30-42-38-27-26-33(29-46(38)59(48-25-11-12-28-55-48)47(42)31-43(41)52(53,54)34-15-5-3-6-16-34)36-20-14-24-45-50(36)57-51(58(45)35-17-7-4-8-18-35)40-22-13-21-39-37-19-9-10-23-44(37)56-49(39)40;/h3-28,30-32H,1-2H3;/q-2;+2
InChIKeyMAKZTKKFOYJBCQ-UHFFFAOYSA-N
MW962.96 g/mol
LogP13.18
Rot. Bonds7

About 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-6-propan-2-yl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)

2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-6-propan-2-yl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) (PubChem CID 176642717) has the molecular formula C52H35F2N5Pt and a molecular weight of 962.96 g/mol. Its IUPAC name is 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-6-propan-2-yl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

Compound Name2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-6-propan-2-yl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
PubChem CID176642717
Molecular FormulaC52H35F2N5Pt
Molecular Weight962.96 g/mol
Exact Mass962.25
IUPAC Name2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-6-propan-2-yl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
SMILESCC(C)c1cc2c3ccc(-c4cccc5c4nc(-c4cccc6c4[n-]c4ccccc46)n5-c4ccccc4)[c-]c3n(-c3ccccn3)c2cc1C(F)(F)c1ccccc1.[Pt+2]
InChIInChI=1S/C52H35F2N5.Pt/c1-32(2)41-30-42-38-27-26-33(29-46(38)59(48-25-11-12-28-55-48)47(42)31-43(41)52(53,54)34-15-5-3-6-16-34)36-20-14-24-45-50(36)57-51(58(45)35-17-7-4-8-18-35)40-22-13-21-39-37-19-9-10-23-44(37)56-49(39)40;/h3-28,30-32H,1-2H3;/q-2;+2
InChIKeyMAKZTKKFOYJBCQ-UHFFFAOYSA-N
XLogP13.18
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500962.96
LogP ≤ 513.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(8S)-N-methyl-N-[[1-[[(3S)-1-(3-pyridylmethyl)-3-piperidyl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 11547495
6-Imidazo[1,2-a]pyridin-2-yl-4-methyl-2-propyl-1-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-1H-benzoimidazole
CID 10052528
N-(2-methyl-5-(quinoxalin-2-yl)phenyl)-7-(pyridin-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 11154615
6-((4-(2-(4-Tert-butylphenyl)imidazo[1,2-a]pyridin-8-yl)piperazin-1-yl)methyl)quinoxaline
CID 15602807
4-[7-[4-(4-Methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline
CID 54765389
8-Fluoro-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
CID 86566407
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CID 86566540
5,7-Difluoro-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
CID 86566542
5,7-Difluoro-6-[1-(5-naphthalen-1-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
CID 86566598
6-Fluoro-2-methyl-4-[7-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline
CID 139326550
2-Methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-6-(trifluoromethyl)quinoline
CID 139326716
7-Methyl-6-[1-(5-pyridin-4-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
CID 141370316

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-6-propan-2-yl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?
The IUPAC name of 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-6-propan-2-yl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) (CID 176642717) is 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-6-propan-2-yl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+).
What is the SMILES notation for 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-6-propan-2-yl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?
The canonical SMILES for 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-6-propan-2-yl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) is CC(C)c1cc2c3ccc(-c4cccc5c4nc(-c4cccc6c4[n-]c4ccccc46)n5-c4ccccc4)[c-]c3n(-c3ccccn3)c2cc1C(F)(F)c1ccccc1.[Pt+2].
What is the InChIKey of 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-6-propan-2-yl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?
The InChIKey is MAKZTKKFOYJBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35F2N5.Pt/c1-32(2)41-30-42-38-27-26-33(29-46(38)59(48-25-11-12-28-55-48)47(42)31-43(41)52(53,54)34-15-5-3-6-16-34)36-20-14-24-45-50(36)57-51(58(45)35-17-7-4-8-18-35)40-22-13-21-39-37-19-9-10-23-44(37)56-49(39)40;/h3-28,30-32H,1-2H3;/q-2;+2.
What are the key properties of 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-6-propan-2-yl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?
2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-6-propan-2-yl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 962.96 g/mol, XLogP of 13.18, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-7-[difluoro(phenyl)methyl]-6-propan-2-yl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 176642717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).