7-(1-methylbenzimidazol-2-yl)-5-[[7-(1-methylbenzimidazol-2-yl)-6H-quinolin-6-id-5-yl]oxy]-6H-quinolin-6-ide;platinum(2+)

C34H22N6OPt — CID 153428769

IUPAC7-(1-methylbenzimidazol-2-yl)-5-[[7-(1-methylbenzimidazol-2-yl)-6H-quinolin-6-id-5-yl]oxy]-6H-quinolin-6-ide;platinum(2+)
SMILESCn1c(-c2[c-]c(Oc3[c-]c(-c4nc5ccccc5n4C)cc4ncccc34)c3cccnc3c2)nc2ccccc21.[Pt+2]
InChIInChI=1S/C34H22N6O.Pt/c1-39-29-13-5-3-11-25(29)37-33(39)21-17-27-23(9-7-15-35-27)31(19-21)41-32-20-22(18-28-24(32)10-8-16-36-28)34-38-26-12-4-6-14-30(26)40(34)2;/h3-18H,1-2H3;/q-2;+2
InChIKeyKILGBDOTCDVKFG-UHFFFAOYSA-N
MW725.67 g/mol
LogP7.28
Rot. Bonds4

About 7-(1-methylbenzimidazol-2-yl)-5-[[7-(1-methylbenzimidazol-2-yl)-6H-quinolin-6-id-5-yl]oxy]-6H-quinolin-6-ide;platinum(2+)

7-(1-methylbenzimidazol-2-yl)-5-[[7-(1-methylbenzimidazol-2-yl)-6H-quinolin-6-id-5-yl]oxy]-6H-quinolin-6-ide;platinum(2+) (PubChem CID 153428769) has the molecular formula C34H22N6OPt and a molecular weight of 725.67 g/mol. Its IUPAC name is 7-(1-methylbenzimidazol-2-yl)-5-[[7-(1-methylbenzimidazol-2-yl)-6H-quinolin-6-id-5-yl]oxy]-6H-quinolin-6-ide;platinum(2+).

Molecular Properties

Compound Name7-(1-methylbenzimidazol-2-yl)-5-[[7-(1-methylbenzimidazol-2-yl)-6H-quinolin-6-id-5-yl]oxy]-6H-quinolin-6-ide;platinum(2+)
PubChem CID153428769
Molecular FormulaC34H22N6OPt
Molecular Weight725.67 g/mol
Exact Mass725.15
IUPAC Name7-(1-methylbenzimidazol-2-yl)-5-[[7-(1-methylbenzimidazol-2-yl)-6H-quinolin-6-id-5-yl]oxy]-6H-quinolin-6-ide;platinum(2+)
SMILESCn1c(-c2[c-]c(Oc3[c-]c(-c4nc5ccccc5n4C)cc4ncccc34)c3cccnc3c2)nc2ccccc21.[Pt+2]
InChIInChI=1S/C34H22N6O.Pt/c1-39-29-13-5-3-11-25(29)37-33(39)21-17-27-23(9-7-15-35-27)31(19-21)41-32-20-22(18-28-24(32)10-8-16-36-28)34-38-26-12-4-6-14-30(26)40(34)2;/h3-18H,1-2H3;/q-2;+2
InChIKeyKILGBDOTCDVKFG-UHFFFAOYSA-N
XLogP7.28
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.67
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 7-(1-methylbenzimidazol-2-yl)-5-[[7-(1-methylbenzimidazol-2-yl)-6H-quinolin-6-id-5-yl]oxy]-6H-quinolin-6-ide;platinum(2+) with MolForge

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Related Compounds

1-[3-[2-(4-Imidazol-3-id-2-yl-1-methylimidazol-2-yl)propan-2-yl]benzene-2-id-1-yl]oxyimidazo[1,5-a]pyridine;platinum(2+)
CID 58709106
3-[2,6-di(propan-2-yl)phenyl]-11-[[3-[2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 140593918
Iridium;2-[5-(4-octoxyphenyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;1-phenyl-2-phenylbenzimidazole
CID 140679220
CID 145837140
CID 145837140
2-[3-[3-[3-(3,5-Dimethylbenzene-6-id-1-yl)pyrazin-2-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;5-(2,2-dimethylpropyl)-2-phenylpyridine;iridium;platinum(2+)
CID 153276447
CID 153428804
CID 153428804
CID 153428825
CID 153428825
7-(1-methylbenzimidazol-2-yl)-5-[[7-(1-methylbenzimidazol-2-yl)-6H-isoquinolin-6-id-5-yl]oxy]-6H-isoquinolin-6-ide;platinum(2+)
CID 153428831
CID 153428963
CID 153428963
1-methyl-2-[4-[[3-(1-methylbenzimidazol-2-yl)-2H-naphthalen-2-id-1-yl]oxy]-3H-naphthalen-3-id-2-yl]benzimidazole;platinum(2+)
CID 153428966
8-(1-methylbenzimidazol-2-yl)-6-[[8-(1-methylbenzimidazol-2-yl)-7H-isoquinolin-7-id-6-yl]oxy]-7H-isoquinolin-7-ide;platinum(2+)
CID 153428968
CID 153428992
CID 153428992

Frequently Asked Questions

What is the IUPAC name of 7-(1-methylbenzimidazol-2-yl)-5-[[7-(1-methylbenzimidazol-2-yl)-6H-quinolin-6-id-5-yl]oxy]-6H-quinolin-6-ide;platinum(2+)?
The IUPAC name of 7-(1-methylbenzimidazol-2-yl)-5-[[7-(1-methylbenzimidazol-2-yl)-6H-quinolin-6-id-5-yl]oxy]-6H-quinolin-6-ide;platinum(2+) (CID 153428769) is 7-(1-methylbenzimidazol-2-yl)-5-[[7-(1-methylbenzimidazol-2-yl)-6H-quinolin-6-id-5-yl]oxy]-6H-quinolin-6-ide;platinum(2+).
What is the SMILES notation for 7-(1-methylbenzimidazol-2-yl)-5-[[7-(1-methylbenzimidazol-2-yl)-6H-quinolin-6-id-5-yl]oxy]-6H-quinolin-6-ide;platinum(2+)?
The canonical SMILES for 7-(1-methylbenzimidazol-2-yl)-5-[[7-(1-methylbenzimidazol-2-yl)-6H-quinolin-6-id-5-yl]oxy]-6H-quinolin-6-ide;platinum(2+) is Cn1c(-c2[c-]c(Oc3[c-]c(-c4nc5ccccc5n4C)cc4ncccc34)c3cccnc3c2)nc2ccccc21.[Pt+2].
What is the InChIKey of 7-(1-methylbenzimidazol-2-yl)-5-[[7-(1-methylbenzimidazol-2-yl)-6H-quinolin-6-id-5-yl]oxy]-6H-quinolin-6-ide;platinum(2+)?
The InChIKey is KILGBDOTCDVKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N6O.Pt/c1-39-29-13-5-3-11-25(29)37-33(39)21-17-27-23(9-7-15-35-27)31(19-21)41-32-20-22(18-28-24(32)10-8-16-36-28)34-38-26-12-4-6-14-30(26)40(34)2;/h3-18H,1-2H3;/q-2;+2.
What are the key properties of 7-(1-methylbenzimidazol-2-yl)-5-[[7-(1-methylbenzimidazol-2-yl)-6H-quinolin-6-id-5-yl]oxy]-6H-quinolin-6-ide;platinum(2+)?
7-(1-methylbenzimidazol-2-yl)-5-[[7-(1-methylbenzimidazol-2-yl)-6H-quinolin-6-id-5-yl]oxy]-6H-quinolin-6-ide;platinum(2+) has a molecular weight of 725.67 g/mol, XLogP of 7.28, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-methylbenzimidazol-2-yl)-5-[[7-(1-methylbenzimidazol-2-yl)-6H-quinolin-6-id-5-yl]oxy]-6H-quinolin-6-ide;platinum(2+) is sourced from PubChem (CID 153428769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).