carbanide;3-[(E)-2-(1-ethylquinolin-1-ium-4-yl)ethenyl]-9-[2-(2-methoxyethoxy)ethyl]carbazole;methane;2-[4-[(E)-2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]ethanol;3-[4-[(E)-2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]propan-1-ol;9-[2-(2-methoxyethoxy)ethyl]-3-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]carbazole;iodide

C127H149IN8O10 — CID 157336413

IUPACcarbanide;3-[(E)-2-(1-ethylquinolin-1-ium-4-yl)ethenyl]-9-[2-(2-methoxyethoxy)ethyl]carbazole;methane;2-[4-[(E)-2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]ethanol;3-[4-[(E)-2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]propan-1-ol;9-[2-(2-methoxyethoxy)ethyl]-3-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]carbazole;iodide
SMILESC.C.C.C.CC[n+]1ccc(/C=C/c2ccc3c(c2)c2ccccc2n3CCOCCOC)c2ccccc21.COCCOCCn1c2ccccc2c2cc(/C=C/c3cc[n+](C)c4ccccc34)ccc21.COCCOCCn1c2ccccc2c2cc(/C=C/c3cc[n+](CCCO)c4ccccc34)ccc21.COCCOCCn1c2ccccc2c2cc(/C=C/c3cc[n+](CCO)c4ccccc34)ccc21.[CH3-].[CH3-].[CH3-].[I-]
InChIInChI=1S/C31H33N2O3.C30H31N2O3.C30H31N2O2.C29H29N2O2.4CH4.3CH3.HI/c1-35-21-22-36-20-18-33-30-10-5-3-8-27(30)28-23-24(12-14-31(28)33)11-13-25-15-17-32(16-6-19-34)29-9-4-2-7-26(25)29;1-34-20-21-35-19-17-32-29-9-5-3-7-26(29)27-22-23(11-13-30(27)32)10-12-24-14-15-31(16-18-33)28-8-4-2-6-25(24)28;1-3-31-17-16-24(25-8-4-6-10-28(25)31)14-12-23-13-15-30-27(22-23)26-9-5-7-11-29(26)32(30)18-19-34-21-20-33-2;1-30-16-15-23(24-7-3-5-9-27(24)30)13-11-22-12-14-29-26(21-22)25-8-4-6-10-28(25)31(29)17-18-33-20-19-32-2;;;;;;;;/h2-5,7-15,17,23,34H,6,16,18-22H2,1H3;2-15,22,33H,16-21H2,1H3;4-17,22H,3,18-21H2,1-2H3;3-16,21H,17-20H2,1-2H3;4*1H4;3*1H3;1H/q4*+1;;;;;3*-1;/p-1
InChIKeyUOSJLCOHABZNOX-UHFFFAOYSA-M
MW2074.54 g/mol
LogP23.11
Rot. Bonds38

About carbanide;3-[(E)-2-(1-ethylquinolin-1-ium-4-yl)ethenyl]-9-[2-(2-methoxyethoxy)ethyl]carbazole;methane;2-[4-[(E)-2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]ethanol;3-[4-[(E)-2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]propan-1-ol;9-[2-(2-methoxyethoxy)ethyl]-3-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]carbazole;iodide

carbanide;3-[(E)-2-(1-ethylquinolin-1-ium-4-yl)ethenyl]-9-[2-(2-methoxyethoxy)ethyl]carbazole;methane;2-[4-[(E)-2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]ethanol;3-[4-[(E)-2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]propan-1-ol;9-[2-(2-methoxyethoxy)ethyl]-3-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]carbazole;iodide (PubChem CID 157336413) has the molecular formula C127H149IN8O10 and a molecular weight of 2074.54 g/mol. Its IUPAC name is carbanide;3-[(E)-2-(1-ethylquinolin-1-ium-4-yl)ethenyl]-9-[2-(2-methoxyethoxy)ethyl]carbazole;methane;2-[4-[(E)-2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]ethanol;3-[4-[(E)-2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]propan-1-ol;9-[2-(2-methoxyethoxy)ethyl]-3-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]carbazole;iodide.

Molecular Properties

Compound Namecarbanide;3-[(E)-2-(1-ethylquinolin-1-ium-4-yl)ethenyl]-9-[2-(2-methoxyethoxy)ethyl]carbazole;methane;2-[4-[(E)-2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]ethanol;3-[4-[(E)-2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]propan-1-ol;9-[2-(2-methoxyethoxy)ethyl]-3-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]carbazole;iodide
PubChem CID157336413
Molecular FormulaC127H149IN8O10
Molecular Weight2074.54 g/mol
Exact Mass2073.04
IUPAC Namecarbanide;3-[(E)-2-(1-ethylquinolin-1-ium-4-yl)ethenyl]-9-[2-(2-methoxyethoxy)ethyl]carbazole;methane;2-[4-[(E)-2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]ethanol;3-[4-[(E)-2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]propan-1-ol;9-[2-(2-methoxyethoxy)ethyl]-3-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]carbazole;iodide
SMILESC.C.C.C.CC[n+]1ccc(/C=C/c2ccc3c(c2)c2ccccc2n3CCOCCOC)c2ccccc21.COCCOCCn1c2ccccc2c2cc(/C=C/c3cc[n+](C)c4ccccc34)ccc21.COCCOCCn1c2ccccc2c2cc(/C=C/c3cc[n+](CCCO)c4ccccc34)ccc21.COCCOCCn1c2ccccc2c2cc(/C=C/c3cc[n+](CCO)c4ccccc34)ccc21.[CH3-].[CH3-].[CH3-].[I-]
InChIInChI=1S/C31H33N2O3.C30H31N2O3.C30H31N2O2.C29H29N2O2.4CH4.3CH3.HI/c1-35-21-22-36-20-18-33-30-10-5-3-8-27(30)28-23-24(12-14-31(28)33)11-13-25-15-17-32(16-6-19-34)29-9-4-2-7-26(25)29;1-34-20-21-35-19-17-32-29-9-5-3-7-26(29)27-22-23(11-13-30(27)32)10-12-24-14-15-31(16-18-33)28-8-4-2-6-25(24)28;1-3-31-17-16-24(25-8-4-6-10-28(25)31)14-12-23-13-15-30-27(22-23)26-9-5-7-11-29(26)32(30)18-19-34-21-20-33-2;1-30-16-15-23(24-7-3-5-9-27(24)30)13-11-22-12-14-29-26(21-22)25-8-4-6-10-28(25)31(29)17-18-33-20-19-32-2;;;;;;;;/h2-5,7-15,17,23,34H,6,16,18-22H2,1H3;2-15,22,33H,16-21H2,1H3;4-17,22H,3,18-21H2,1-2H3;3-16,21H,17-20H2,1-2H3;4*1H4;3*1H3;1H/q4*+1;;;;;3*-1;/p-1
InChIKeyUOSJLCOHABZNOX-UHFFFAOYSA-M
XLogP23.11
TPSA149.54 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds38
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002074.54
LogP ≤ 523.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze carbanide;3-[(E)-2-(1-ethylquinolin-1-ium-4-yl)ethenyl]-9-[2-(2-methoxyethoxy)ethyl]carbazole;methane;2-[4-[(E)-2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]ethanol;3-[4-[(E)-2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]propan-1-ol;9-[2-(2-methoxyethoxy)ethyl]-3-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]carbazole;iodide with MolForge

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Related Compounds

(E)-1-(2-hydroxyethyl)-4-(2-(9-(2-(2-methoxyethoxy)ethyl)-9H-carbazol-3-yl)vinyl)-quinolinium chloride
CID 57326947
4-[3-[3-[3,5-Bis[9-(3-morpholin-4-ylpropyl)carbazol-3-yl]phenyl]carbazol-9-yl]propyl]morpholine
CID 172447714
4-[2-[3-[3,5-Bis[9-(2-morpholin-4-ylethyl)carbazol-3-yl]phenyl]carbazol-9-yl]ethyl]morpholine
CID 172450160
2-[4-[(E)-2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]ethanol
CID 57326948
Tetrakis(iridium);2-(3-methyl-2-pyridinyl)-6-(trifluoromethyl)quinoline;2-(4-methyl-2-pyridinyl)-6-(trifluoromethyl)quinoline;2-(5-methyl-2-pyridinyl)-6-(trifluoromethyl)quinoline;2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)quinoline;tetrakis(pentane-2,4-diol)
CID 159374891
2-(5,6-Dimethyl-2-pyridinyl)-6-(trifluoromethyl)quinoline;tetrakis(iridium);2-(3-methyl-2-pyridinyl)-6-(trifluoromethyl)quinoline;2-(4-methyl-2-pyridinyl)-6-(trifluoromethyl)quinoline;2-(5-methyl-2-pyridinyl)-6-(trifluoromethyl)quinoline;tetrakis(2,2,6,6-tetramethylheptane-3,5-diol)
CID 159622192
2-(3,5-Dimethyl-2-pyridinyl)-6-(trifluoromethyl)quinoline;2-(3,6-dimethyl-2-pyridinyl)-6-(trifluoromethyl)quinoline;2-(4,6-dimethyl-2-pyridinyl)-6-(trifluoromethyl)quinoline;2-(5,6-dimethyl-2-pyridinyl)-6-(trifluoromethyl)quinoline;tetrakis(iridium);tetrakis(pentane-2,4-diol)
CID 162057703
6H-Pyrido[4, 2,2'-(1,8-octanediyl)bis[6-(2-hydroxyethyl)-5,11-dimethyl-, dibromide
CID 54598578
3-[(E)-2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]ethenyl]-9-[2-(2-methoxyethoxy)ethyl]carbazole
CID 139048904
3,6-Bis[3,6-di(quinolin-6-yl)carbazol-9-yl]-9-ethylcarbazole
CID 57591919
9-[2-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]ethoxy]ethoxymethyl]-3,6-bis[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]carbazole
CID 58252911
(E)-1-(3-hydroxypropyl)-4-(2-(9-(2-(2-methoxyethoxy)ethyl)-9H-carbazol-3-yl)vinyl)-quinolinium bromide
CID 66575885

Frequently Asked Questions

What is the IUPAC name of carbanide;3-[(E)-2-(1-ethylquinolin-1-ium-4-yl)ethenyl]-9-[2-(2-methoxyethoxy)ethyl]carbazole;methane;2-[4-[(E)-2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]ethanol;3-[4-[(E)-2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]propan-1-ol;9-[2-(2-methoxyethoxy)ethyl]-3-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]carbazole;iodide?
The IUPAC name of carbanide;3-[(E)-2-(1-ethylquinolin-1-ium-4-yl)ethenyl]-9-[2-(2-methoxyethoxy)ethyl]carbazole;methane;2-[4-[(E)-2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]ethanol;3-[4-[(E)-2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]propan-1-ol;9-[2-(2-methoxyethoxy)ethyl]-3-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]carbazole;iodide (CID 157336413) is carbanide;3-[(E)-2-(1-ethylquinolin-1-ium-4-yl)ethenyl]-9-[2-(2-methoxyethoxy)ethyl]carbazole;methane;2-[4-[(E)-2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]ethanol;3-[4-[(E)-2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]propan-1-ol;9-[2-(2-methoxyethoxy)ethyl]-3-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]carbazole;iodide.
What is the SMILES notation for carbanide;3-[(E)-2-(1-ethylquinolin-1-ium-4-yl)ethenyl]-9-[2-(2-methoxyethoxy)ethyl]carbazole;methane;2-[4-[(E)-2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]ethanol;3-[4-[(E)-2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]propan-1-ol;9-[2-(2-methoxyethoxy)ethyl]-3-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]carbazole;iodide?
The canonical SMILES for carbanide;3-[(E)-2-(1-ethylquinolin-1-ium-4-yl)ethenyl]-9-[2-(2-methoxyethoxy)ethyl]carbazole;methane;2-[4-[(E)-2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]ethanol;3-[4-[(E)-2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]propan-1-ol;9-[2-(2-methoxyethoxy)ethyl]-3-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]carbazole;iodide is C.C.C.C.CC[n+]1ccc(/C=C/c2ccc3c(c2)c2ccccc2n3CCOCCOC)c2ccccc21.COCCOCCn1c2ccccc2c2cc(/C=C/c3cc[n+](C)c4ccccc34)ccc21.COCCOCCn1c2ccccc2c2cc(/C=C/c3cc[n+](CCCO)c4ccccc34)ccc21.COCCOCCn1c2ccccc2c2cc(/C=C/c3cc[n+](CCO)c4ccccc34)ccc21.[CH3-].[CH3-].[CH3-].[I-].
What is the InChIKey of carbanide;3-[(E)-2-(1-ethylquinolin-1-ium-4-yl)ethenyl]-9-[2-(2-methoxyethoxy)ethyl]carbazole;methane;2-[4-[(E)-2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]ethanol;3-[4-[(E)-2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]propan-1-ol;9-[2-(2-methoxyethoxy)ethyl]-3-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]carbazole;iodide?
The InChIKey is UOSJLCOHABZNOX-UHFFFAOYSA-M. The full InChI is InChI=1S/C31H33N2O3.C30H31N2O3.C30H31N2O2.C29H29N2O2.4CH4.3CH3.HI/c1-35-21-22-36-20-18-33-30-10-5-3-8-27(30)28-23-24(12-14-31(28)33)11-13-25-15-17-32(16-6-19-34)29-9-4-2-7-26(25)29;1-34-20-21-35-19-17-32-29-9-5-3-7-26(29)27-22-23(11-13-30(27)32)10-12-24-14-15-31(16-18-33)28-8-4-2-6-25(24)28;1-3-31-17-16-24(25-8-4-6-10-28(25)31)14-12-23-13-15-30-27(22-23)26-9-5-7-11-29(26)32(30)18-19-34-21-20-33-2;1-30-16-15-23(24-7-3-5-9-27(24)30)13-11-22-12-14-29-26(21-22)25-8-4-6-10-28(25)31(29)17-18-33-20-19-32-2;;;;;;;;/h2-5,7-15,17,23,34H,6,16,18-22H2,1H3;2-15,22,33H,16-21H2,1H3;4-17,22H,3,18-21H2,1-2H3;3-16,21H,17-20H2,1-2H3;4*1H4;3*1H3;1H/q4*+1;;;;;3*-1;/p-1.
What are the key properties of carbanide;3-[(E)-2-(1-ethylquinolin-1-ium-4-yl)ethenyl]-9-[2-(2-methoxyethoxy)ethyl]carbazole;methane;2-[4-[(E)-2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]ethanol;3-[4-[(E)-2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]propan-1-ol;9-[2-(2-methoxyethoxy)ethyl]-3-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]carbazole;iodide?
carbanide;3-[(E)-2-(1-ethylquinolin-1-ium-4-yl)ethenyl]-9-[2-(2-methoxyethoxy)ethyl]carbazole;methane;2-[4-[(E)-2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]ethanol;3-[4-[(E)-2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]propan-1-ol;9-[2-(2-methoxyethoxy)ethyl]-3-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]carbazole;iodide has a molecular weight of 2074.54 g/mol, XLogP of 23.11, 38 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;3-[(E)-2-(1-ethylquinolin-1-ium-4-yl)ethenyl]-9-[2-(2-methoxyethoxy)ethyl]carbazole;methane;2-[4-[(E)-2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]ethanol;3-[4-[(E)-2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]propan-1-ol;9-[2-(2-methoxyethoxy)ethyl]-3-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]carbazole;iodide is sourced from PubChem (CID 157336413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).