2-[2-[4-(6-methoxynaphthalen-2-yl)oxybutoxy]carbazol-9-yl]acetic acid

C29H27NO5 — CID 23627235

IUPAC2-[2-[4-(6-methoxynaphthalen-2-yl)oxybutoxy]carbazol-9-yl]acetic acid
SMILESCOc1ccc2cc(OCCCCOc3ccc4c5ccccc5n(CC(=O)O)c4c3)ccc2c1
InChIInChI=1S/C29H27NO5/c1-33-22-10-8-21-17-23(11-9-20(21)16-22)34-14-4-5-15-35-24-12-13-26-25-6-2-3-7-27(25)30(19-29(31)32)28(26)18-24/h2-3,6-13,16-18H,4-5,14-15,19H2,1H3,(H,31,32)
InChIKeyBVTKKTOCXBAZDL-UHFFFAOYSA-N
MW469.54 g/mol
LogP6.28
Rot. Bonds10

About 2-[2-[4-(6-methoxynaphthalen-2-yl)oxybutoxy]carbazol-9-yl]acetic acid

2-[2-[4-(6-methoxynaphthalen-2-yl)oxybutoxy]carbazol-9-yl]acetic acid (PubChem CID 23627235) has the molecular formula C29H27NO5 and a molecular weight of 469.54 g/mol. Its IUPAC name is 2-[2-[4-(6-methoxynaphthalen-2-yl)oxybutoxy]carbazol-9-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[4-(6-methoxynaphthalen-2-yl)oxybutoxy]carbazol-9-yl]acetic acid
PubChem CID23627235
Molecular FormulaC29H27NO5
Molecular Weight469.54 g/mol
Exact Mass469.19
IUPAC Name2-[2-[4-(6-methoxynaphthalen-2-yl)oxybutoxy]carbazol-9-yl]acetic acid
SMILESCOc1ccc2cc(OCCCCOc3ccc4c5ccccc5n(CC(=O)O)c4c3)ccc2c1
InChIInChI=1S/C29H27NO5/c1-33-22-10-8-21-17-23(11-9-20(21)16-22)34-14-4-5-15-35-24-12-13-26-25-6-2-3-7-27(25)30(19-29(31)32)28(26)18-24/h2-3,6-13,16-18H,4-5,14-15,19H2,1H3,(H,31,32)
InChIKeyBVTKKTOCXBAZDL-UHFFFAOYSA-N
XLogP6.28
TPSA69.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.54
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-[2-[4-(6-methoxynaphthalen-2-yl)oxybutoxy]carbazol-9-yl]acetic acid?
The IUPAC name of 2-[2-[4-(6-methoxynaphthalen-2-yl)oxybutoxy]carbazol-9-yl]acetic acid (CID 23627235) is 2-[2-[4-(6-methoxynaphthalen-2-yl)oxybutoxy]carbazol-9-yl]acetic acid.
What is the SMILES notation for 2-[2-[4-(6-methoxynaphthalen-2-yl)oxybutoxy]carbazol-9-yl]acetic acid?
The canonical SMILES for 2-[2-[4-(6-methoxynaphthalen-2-yl)oxybutoxy]carbazol-9-yl]acetic acid is COc1ccc2cc(OCCCCOc3ccc4c5ccccc5n(CC(=O)O)c4c3)ccc2c1.
What is the InChIKey of 2-[2-[4-(6-methoxynaphthalen-2-yl)oxybutoxy]carbazol-9-yl]acetic acid?
The InChIKey is BVTKKTOCXBAZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27NO5/c1-33-22-10-8-21-17-23(11-9-20(21)16-22)34-14-4-5-15-35-24-12-13-26-25-6-2-3-7-27(25)30(19-29(31)32)28(26)18-24/h2-3,6-13,16-18H,4-5,14-15,19H2,1H3,(H,31,32).
What are the key properties of 2-[2-[4-(6-methoxynaphthalen-2-yl)oxybutoxy]carbazol-9-yl]acetic acid?
2-[2-[4-(6-methoxynaphthalen-2-yl)oxybutoxy]carbazol-9-yl]acetic acid has a molecular weight of 469.54 g/mol, XLogP of 6.28, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(6-methoxynaphthalen-2-yl)oxybutoxy]carbazol-9-yl]acetic acid is sourced from PubChem (CID 23627235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).