2-(3-pyridin-2-ylphenyl)ethyl 4-carbazol-9-yl-2-methylhexanoate

C32H32N2O2 — CID 58914269

IUPAC2-(3-pyridin-2-ylphenyl)ethyl 4-carbazol-9-yl-2-methylhexanoate
SMILESCCC(CC(C)C(=O)OCCc1cccc(-c2ccccn2)c1)n1c2ccccc2c2ccccc21
InChIInChI=1S/C32H32N2O2/c1-3-26(34-30-16-6-4-13-27(30)28-14-5-7-17-31(28)34)21-23(2)32(35)36-20-18-24-11-10-12-25(22-24)29-15-8-9-19-33-29/h4-17,19,22-23,26H,3,18,20-21H2,1-2H3
InChIKeyHGXXXPYHABMAFH-UHFFFAOYSA-N
MW476.62 g/mol
LogP7.62
Rot. Bonds9

About 2-(3-pyridin-2-ylphenyl)ethyl 4-carbazol-9-yl-2-methylhexanoate

2-(3-pyridin-2-ylphenyl)ethyl 4-carbazol-9-yl-2-methylhexanoate (PubChem CID 58914269) has the molecular formula C32H32N2O2 and a molecular weight of 476.62 g/mol. Its IUPAC name is 2-(3-pyridin-2-ylphenyl)ethyl 4-carbazol-9-yl-2-methylhexanoate.

Molecular Properties

Compound Name2-(3-pyridin-2-ylphenyl)ethyl 4-carbazol-9-yl-2-methylhexanoate
PubChem CID58914269
Molecular FormulaC32H32N2O2
Molecular Weight476.62 g/mol
Exact Mass476.25
IUPAC Name2-(3-pyridin-2-ylphenyl)ethyl 4-carbazol-9-yl-2-methylhexanoate
SMILESCCC(CC(C)C(=O)OCCc1cccc(-c2ccccn2)c1)n1c2ccccc2c2ccccc21
InChIInChI=1S/C32H32N2O2/c1-3-26(34-30-16-6-4-13-27(30)28-14-5-7-17-31(28)34)21-23(2)32(35)36-20-18-24-11-10-12-25(22-24)29-15-8-9-19-33-29/h4-17,19,22-23,26H,3,18,20-21H2,1-2H3
InChIKeyHGXXXPYHABMAFH-UHFFFAOYSA-N
XLogP7.62
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.62
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-pyridin-2-ylphenyl)ethyl 4-carbazol-9-yl-2-methylhexanoate?
The IUPAC name of 2-(3-pyridin-2-ylphenyl)ethyl 4-carbazol-9-yl-2-methylhexanoate (CID 58914269) is 2-(3-pyridin-2-ylphenyl)ethyl 4-carbazol-9-yl-2-methylhexanoate.
What is the SMILES notation for 2-(3-pyridin-2-ylphenyl)ethyl 4-carbazol-9-yl-2-methylhexanoate?
The canonical SMILES for 2-(3-pyridin-2-ylphenyl)ethyl 4-carbazol-9-yl-2-methylhexanoate is CCC(CC(C)C(=O)OCCc1cccc(-c2ccccn2)c1)n1c2ccccc2c2ccccc21.
What is the InChIKey of 2-(3-pyridin-2-ylphenyl)ethyl 4-carbazol-9-yl-2-methylhexanoate?
The InChIKey is HGXXXPYHABMAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O2/c1-3-26(34-30-16-6-4-13-27(30)28-14-5-7-17-31(28)34)21-23(2)32(35)36-20-18-24-11-10-12-25(22-24)29-15-8-9-19-33-29/h4-17,19,22-23,26H,3,18,20-21H2,1-2H3.
What are the key properties of 2-(3-pyridin-2-ylphenyl)ethyl 4-carbazol-9-yl-2-methylhexanoate?
2-(3-pyridin-2-ylphenyl)ethyl 4-carbazol-9-yl-2-methylhexanoate has a molecular weight of 476.62 g/mol, XLogP of 7.62, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyridin-2-ylphenyl)ethyl 4-carbazol-9-yl-2-methylhexanoate is sourced from PubChem (CID 58914269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).