9-[2-[2-(2-carbazol-9-ylethoxy)ethoxy]ethyl]carbazole

C30H28N2O2 — CID 2141755

IUPAC9-[2-[2-(2-carbazol-9-ylethoxy)ethoxy]ethyl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2CCOCCOCCn1c2ccccc2c2ccccc21
InChIInChI=1S/C30H28N2O2/c1-5-13-27-23(9-1)24-10-2-6-14-28(24)31(27)17-19-33-21-22-34-20-18-32-29-15-7-3-11-25(29)26-12-4-8-16-30(26)32/h1-16H,17-22H2
InChIKeyLVCZILYXTJVWLG-UHFFFAOYSA-N
MW448.57 g/mol
LogP6.64
Rot. Bonds9

About 9-[2-[2-(2-carbazol-9-ylethoxy)ethoxy]ethyl]carbazole

9-[2-[2-(2-carbazol-9-ylethoxy)ethoxy]ethyl]carbazole (PubChem CID 2141755) has the molecular formula C30H28N2O2 and a molecular weight of 448.57 g/mol. Its IUPAC name is 9-[2-[2-(2-carbazol-9-ylethoxy)ethoxy]ethyl]carbazole.

Molecular Properties

Compound Name9-[2-[2-(2-carbazol-9-ylethoxy)ethoxy]ethyl]carbazole
PubChem CID2141755
Molecular FormulaC30H28N2O2
Molecular Weight448.57 g/mol
Exact Mass448.22
IUPAC Name9-[2-[2-(2-carbazol-9-ylethoxy)ethoxy]ethyl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2CCOCCOCCn1c2ccccc2c2ccccc21
InChIInChI=1S/C30H28N2O2/c1-5-13-27-23(9-1)24-10-2-6-14-28(24)31(27)17-19-33-21-22-34-20-18-32-29-15-7-3-11-25(29)26-12-4-8-16-30(26)32/h1-16H,17-22H2
InChIKeyLVCZILYXTJVWLG-UHFFFAOYSA-N
XLogP6.64
TPSA28.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.57
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-[2-[2-(2-carbazol-9-ylethoxy)ethoxy]ethyl]carbazole?
The IUPAC name of 9-[2-[2-(2-carbazol-9-ylethoxy)ethoxy]ethyl]carbazole (CID 2141755) is 9-[2-[2-(2-carbazol-9-ylethoxy)ethoxy]ethyl]carbazole.
What is the SMILES notation for 9-[2-[2-(2-carbazol-9-ylethoxy)ethoxy]ethyl]carbazole?
The canonical SMILES for 9-[2-[2-(2-carbazol-9-ylethoxy)ethoxy]ethyl]carbazole is c1ccc2c(c1)c1ccccc1n2CCOCCOCCn1c2ccccc2c2ccccc21.
What is the InChIKey of 9-[2-[2-(2-carbazol-9-ylethoxy)ethoxy]ethyl]carbazole?
The InChIKey is LVCZILYXTJVWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O2/c1-5-13-27-23(9-1)24-10-2-6-14-28(24)31(27)17-19-33-21-22-34-20-18-32-29-15-7-3-11-25(29)26-12-4-8-16-30(26)32/h1-16H,17-22H2.
What are the key properties of 9-[2-[2-(2-carbazol-9-ylethoxy)ethoxy]ethyl]carbazole?
9-[2-[2-(2-carbazol-9-ylethoxy)ethoxy]ethyl]carbazole has a molecular weight of 448.57 g/mol, XLogP of 6.64, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[2-(2-carbazol-9-ylethoxy)ethoxy]ethyl]carbazole is sourced from PubChem (CID 2141755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).