9-[2-(4-phenylpyridin-1-ium-1-yl)oxyethyl]carbazole

C25H21N2O+ — CID 59705457

IUPAC9-[2-(4-phenylpyridin-1-ium-1-yl)oxyethyl]carbazole
SMILESc1ccc(-c2cc[n+](OCCn3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C25H21N2O/c1-2-8-20(9-3-1)21-14-16-26(17-15-21)28-19-18-27-24-12-6-4-10-22(24)23-11-5-7-13-25(23)27/h1-17H,18-19H2/q+1
InChIKeyBPVVMROBLSAKBS-UHFFFAOYSA-N
MW365.46 g/mol
LogP4.88
Rot. Bonds5

About 9-[2-(4-phenylpyridin-1-ium-1-yl)oxyethyl]carbazole

9-[2-(4-phenylpyridin-1-ium-1-yl)oxyethyl]carbazole (PubChem CID 59705457) has the molecular formula C25H21N2O+ and a molecular weight of 365.46 g/mol. Its IUPAC name is 9-[2-(4-phenylpyridin-1-ium-1-yl)oxyethyl]carbazole.

Molecular Properties

Compound Name9-[2-(4-phenylpyridin-1-ium-1-yl)oxyethyl]carbazole
PubChem CID59705457
Molecular FormulaC25H21N2O+
Molecular Weight365.46 g/mol
Exact Mass365.16
IUPAC Name9-[2-(4-phenylpyridin-1-ium-1-yl)oxyethyl]carbazole
SMILESc1ccc(-c2cc[n+](OCCn3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C25H21N2O/c1-2-8-20(9-3-1)21-14-16-26(17-15-21)28-19-18-27-24-12-6-4-10-22(24)23-11-5-7-13-25(23)27/h1-17H,18-19H2/q+1
InChIKeyBPVVMROBLSAKBS-UHFFFAOYSA-N
XLogP4.88
TPSA18.04 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(4-phenylpyridin-1-ium-1-yl)oxyethyl]carbazole?
The IUPAC name of 9-[2-(4-phenylpyridin-1-ium-1-yl)oxyethyl]carbazole (CID 59705457) is 9-[2-(4-phenylpyridin-1-ium-1-yl)oxyethyl]carbazole.
What is the SMILES notation for 9-[2-(4-phenylpyridin-1-ium-1-yl)oxyethyl]carbazole?
The canonical SMILES for 9-[2-(4-phenylpyridin-1-ium-1-yl)oxyethyl]carbazole is c1ccc(-c2cc[n+](OCCn3c4ccccc4c4ccccc43)cc2)cc1.
What is the InChIKey of 9-[2-(4-phenylpyridin-1-ium-1-yl)oxyethyl]carbazole?
The InChIKey is BPVVMROBLSAKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N2O/c1-2-8-20(9-3-1)21-14-16-26(17-15-21)28-19-18-27-24-12-6-4-10-22(24)23-11-5-7-13-25(23)27/h1-17H,18-19H2/q+1.
What are the key properties of 9-[2-(4-phenylpyridin-1-ium-1-yl)oxyethyl]carbazole?
9-[2-(4-phenylpyridin-1-ium-1-yl)oxyethyl]carbazole has a molecular weight of 365.46 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4-phenylpyridin-1-ium-1-yl)oxyethyl]carbazole is sourced from PubChem (CID 59705457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).