3-[2-[(E)-2-(9H-carbazol-3-yl)ethenyl]quinolin-1-ium-1-yl]propan-1-ol

C26H23N2O+ — CID 72707502

IUPAC3-[2-[(E)-2-(9H-carbazol-3-yl)ethenyl]quinolin-1-ium-1-yl]propan-1-ol
SMILESOCCC[n+]1c(/C=C/c2ccc3[nH]c4ccccc4c3c2)ccc2ccccc21
InChIInChI=1S/C26H22N2O/c29-17-5-16-28-21(14-12-20-6-1-4-9-26(20)28)13-10-19-11-15-25-23(18-19)22-7-2-3-8-24(22)27-25/h1-4,6-15,18,29H,5,16-17H2/p+1
InChIKeyCMXYGRXQPUUMEY-UHFFFAOYSA-O
MW379.48 g/mol
LogP5.31
Rot. Bonds5

About 3-[2-[(E)-2-(9H-carbazol-3-yl)ethenyl]quinolin-1-ium-1-yl]propan-1-ol

3-[2-[(E)-2-(9H-carbazol-3-yl)ethenyl]quinolin-1-ium-1-yl]propan-1-ol (PubChem CID 72707502) has the molecular formula C26H23N2O+ and a molecular weight of 379.48 g/mol. Its IUPAC name is 3-[2-[(E)-2-(9H-carbazol-3-yl)ethenyl]quinolin-1-ium-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[2-[(E)-2-(9H-carbazol-3-yl)ethenyl]quinolin-1-ium-1-yl]propan-1-ol
PubChem CID72707502
Molecular FormulaC26H23N2O+
Molecular Weight379.48 g/mol
Exact Mass379.18
IUPAC Name3-[2-[(E)-2-(9H-carbazol-3-yl)ethenyl]quinolin-1-ium-1-yl]propan-1-ol
SMILESOCCC[n+]1c(/C=C/c2ccc3[nH]c4ccccc4c3c2)ccc2ccccc21
InChIInChI=1S/C26H22N2O/c29-17-5-16-28-21(14-12-20-6-1-4-9-26(20)28)13-10-19-11-15-25-23(18-19)22-7-2-3-8-24(22)27-25/h1-4,6-15,18,29H,5,16-17H2/p+1
InChIKeyCMXYGRXQPUUMEY-UHFFFAOYSA-O
XLogP5.31
TPSA39.90 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.48
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3-[2-[4-[4-[(Z)-2-(9H-carbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]-9H-carbazole
CID 163731823
3-[2-(2-phenylethenyl)quinolin-1-ium-1-yl]propane-1-sulfonic acid
CID 4548738
2-[(E)-2-(1-decylquinolin-1-ium-2-yl)ethenyl]phenol
CID 87743068
4-[(E)-2-(1-ethylquinolin-1-ium-2-yl)ethenyl]benzene-1,2-diol
CID 59595288
3,6-bis[2-(1-methylpyridin-1-ium-2-yl)ethenyl]-9H-carbazole
CID 68576558
4-(9H-carbazol-2-yl)but-3-en-1-ol
CID 170477509
N-(2-aminoethyl)-6-[2-[(E)-2-[3,4-bis(phenylmethoxy)phenyl]ethenyl]quinolin-1-ium-1-yl]hexanamide
CID 23758656
4-[2-(1-ethylquinolin-1-ium-2-yl)ethenyl]benzaldehyde
CID 54378783
1-ethyl-2-[(E)-2-(4-methylphenyl)ethenyl]quinolin-1-ium;hydroiodide
CID 126960352
[4-[(E)-2-(1-ethylquinolin-1-ium-2-yl)ethenyl]phenyl]boronic acid
CID 102497187
1-ethyl-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]quinolin-1-ium
CID 86160184
10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 90238864

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(E)-2-(9H-carbazol-3-yl)ethenyl]quinolin-1-ium-1-yl]propan-1-ol?
The IUPAC name of 3-[2-[(E)-2-(9H-carbazol-3-yl)ethenyl]quinolin-1-ium-1-yl]propan-1-ol (CID 72707502) is 3-[2-[(E)-2-(9H-carbazol-3-yl)ethenyl]quinolin-1-ium-1-yl]propan-1-ol.
What is the SMILES notation for 3-[2-[(E)-2-(9H-carbazol-3-yl)ethenyl]quinolin-1-ium-1-yl]propan-1-ol?
The canonical SMILES for 3-[2-[(E)-2-(9H-carbazol-3-yl)ethenyl]quinolin-1-ium-1-yl]propan-1-ol is OCCC[n+]1c(/C=C/c2ccc3[nH]c4ccccc4c3c2)ccc2ccccc21.
What is the InChIKey of 3-[2-[(E)-2-(9H-carbazol-3-yl)ethenyl]quinolin-1-ium-1-yl]propan-1-ol?
The InChIKey is CMXYGRXQPUUMEY-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H22N2O/c29-17-5-16-28-21(14-12-20-6-1-4-9-26(20)28)13-10-19-11-15-25-23(18-19)22-7-2-3-8-24(22)27-25/h1-4,6-15,18,29H,5,16-17H2/p+1.
What are the key properties of 3-[2-[(E)-2-(9H-carbazol-3-yl)ethenyl]quinolin-1-ium-1-yl]propan-1-ol?
3-[2-[(E)-2-(9H-carbazol-3-yl)ethenyl]quinolin-1-ium-1-yl]propan-1-ol has a molecular weight of 379.48 g/mol, XLogP of 5.31, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(E)-2-(9H-carbazol-3-yl)ethenyl]quinolin-1-ium-1-yl]propan-1-ol is sourced from PubChem (CID 72707502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).