1-(2,6-dipyridin-3-ylphenyl)-3-[3-[3-(2,6-dipyridin-3-ylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);cyanide

C53H35N9Pt — CID 177105777

IUPAC1-(2,6-dipyridin-3-ylphenyl)-3-[3-[3-(2,6-dipyridin-3-ylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);cyanide
SMILES[C-]#N.[Pt+4].[c-]1c(N2[CH-]N(c3c(-c4cccnc4)cccc3-c3cccnc3)c3ccccc32)cccc1N1[CH-]N(c2c(-c3cccnc3)cccc2-c2cccnc2)c2ccccc21
InChIInChI=1S/C52H35N8.CN.Pt/c1-3-24-49-47(22-1)57(35-59(49)51-43(37-12-8-26-53-31-37)18-6-19-44(51)38-13-9-27-54-32-38)41-16-5-17-42(30-41)58-36-60(50-25-4-2-23-48(50)58)52-45(39-14-10-28-55-33-39)20-7-21-46(52)40-15-11-29-56-34-40;1-2;/h1-29,31-36H;;/q-3;-1;+4
InChIKeyFZFALNAEPUOMBN-UHFFFAOYSA-N
MW993.00 g/mol
LogP12.65
Rot. Bonds8

About 1-(2,6-dipyridin-3-ylphenyl)-3-[3-[3-(2,6-dipyridin-3-ylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);cyanide

1-(2,6-dipyridin-3-ylphenyl)-3-[3-[3-(2,6-dipyridin-3-ylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);cyanide (PubChem CID 177105777) has the molecular formula C53H35N9Pt and a molecular weight of 993.00 g/mol. Its IUPAC name is 1-(2,6-dipyridin-3-ylphenyl)-3-[3-[3-(2,6-dipyridin-3-ylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);cyanide.

Molecular Properties

Compound Name1-(2,6-dipyridin-3-ylphenyl)-3-[3-[3-(2,6-dipyridin-3-ylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);cyanide
PubChem CID177105777
Molecular FormulaC53H35N9Pt
Molecular Weight993.00 g/mol
Exact Mass992.27
IUPAC Name1-(2,6-dipyridin-3-ylphenyl)-3-[3-[3-(2,6-dipyridin-3-ylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);cyanide
SMILES[C-]#N.[Pt+4].[c-]1c(N2[CH-]N(c3c(-c4cccnc4)cccc3-c3cccnc3)c3ccccc32)cccc1N1[CH-]N(c2c(-c3cccnc3)cccc2-c2cccnc2)c2ccccc21
InChIInChI=1S/C52H35N8.CN.Pt/c1-3-24-49-47(22-1)57(35-59(49)51-43(37-12-8-26-53-31-37)18-6-19-44(51)38-13-9-27-54-32-38)41-16-5-17-42(30-41)58-36-60(50-25-4-2-23-48(50)58)52-45(39-14-10-28-55-33-39)20-7-21-46(52)40-15-11-29-56-34-40;1-2;/h1-29,31-36H;;/q-3;-1;+4
InChIKeyFZFALNAEPUOMBN-UHFFFAOYSA-N
XLogP12.65
TPSA88.31 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500993.00
LogP ≤ 512.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-diphenylphenyl)-3-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);cyanide
CID 177105798
3-(5-pyridin-3-ylnaphthalen-1-yl)pyridine
CID 169050404
chlorocopper;1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide
CID 58544736
cyclopenta[c]azepine
CID 638010
2-[3-[3-[2,6-bis(4-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 177082962
3-azulen-6-ylpyridine
CID 86232079
2-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]imidazol-2-yl]phenol;platinum(2+)
CID 162492010
3-(2-methyl-3-phenylphenyl)pyridine
CID 91046767
3-(2-methylphenyl)pyridine
CID 4133191
12-(2,6-dipyridin-3-ylphenyl)-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 145010007
9-(4-tert-butyl-5-phenyl-2-pyridinyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 168780235
2-phenyl-4-(2-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 165168395

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dipyridin-3-ylphenyl)-3-[3-[3-(2,6-dipyridin-3-ylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);cyanide?
The IUPAC name of 1-(2,6-dipyridin-3-ylphenyl)-3-[3-[3-(2,6-dipyridin-3-ylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);cyanide (CID 177105777) is 1-(2,6-dipyridin-3-ylphenyl)-3-[3-[3-(2,6-dipyridin-3-ylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);cyanide.
What is the SMILES notation for 1-(2,6-dipyridin-3-ylphenyl)-3-[3-[3-(2,6-dipyridin-3-ylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);cyanide?
The canonical SMILES for 1-(2,6-dipyridin-3-ylphenyl)-3-[3-[3-(2,6-dipyridin-3-ylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);cyanide is [C-]#N.[Pt+4].[c-]1c(N2[CH-]N(c3c(-c4cccnc4)cccc3-c3cccnc3)c3ccccc32)cccc1N1[CH-]N(c2c(-c3cccnc3)cccc2-c2cccnc2)c2ccccc21.
What is the InChIKey of 1-(2,6-dipyridin-3-ylphenyl)-3-[3-[3-(2,6-dipyridin-3-ylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);cyanide?
The InChIKey is FZFALNAEPUOMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N8.CN.Pt/c1-3-24-49-47(22-1)57(35-59(49)51-43(37-12-8-26-53-31-37)18-6-19-44(51)38-13-9-27-54-32-38)41-16-5-17-42(30-41)58-36-60(50-25-4-2-23-48(50)58)52-45(39-14-10-28-55-33-39)20-7-21-46(52)40-15-11-29-56-34-40;1-2;/h1-29,31-36H;;/q-3;-1;+4.
What are the key properties of 1-(2,6-dipyridin-3-ylphenyl)-3-[3-[3-(2,6-dipyridin-3-ylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);cyanide?
1-(2,6-dipyridin-3-ylphenyl)-3-[3-[3-(2,6-dipyridin-3-ylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);cyanide has a molecular weight of 993.00 g/mol, XLogP of 12.65, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dipyridin-3-ylphenyl)-3-[3-[3-(2,6-dipyridin-3-ylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);cyanide is sourced from PubChem (CID 177105777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).