(3-ethyloxetan-3-yl)methyl 2-ethyl-2-methyl-3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]pentanoate

C44H44N2O3 — CID 118983105

IUPAC(3-ethyloxetan-3-yl)methyl 2-ethyl-2-methyl-3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]pentanoate
SMILESCCC(c1cccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1)C(C)(CC)C(=O)OCC1(CC)COC1
InChIInChI=1S/C44H44N2O3/c1-5-36(43(4,6-2)42(47)49-29-44(7-3)27-48-28-44)30-16-15-19-32(26-30)45-38-23-14-12-21-35(38)40-39(45)25-24-34-33-20-11-13-22-37(33)46(41(34)40)31-17-9-8-10-18-31/h8-26,36H,5-7,27-29H2,1-4H3
InChIKeyWUGZKYNMEUREIB-UHFFFAOYSA-N
MW648.85 g/mol
LogP10.76
Rot. Bonds10

About (3-ethyloxetan-3-yl)methyl 2-ethyl-2-methyl-3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]pentanoate

(3-ethyloxetan-3-yl)methyl 2-ethyl-2-methyl-3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]pentanoate (PubChem CID 118983105) has the molecular formula C44H44N2O3 and a molecular weight of 648.85 g/mol. Its IUPAC name is (3-ethyloxetan-3-yl)methyl 2-ethyl-2-methyl-3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]pentanoate.

Molecular Properties

Compound Name(3-ethyloxetan-3-yl)methyl 2-ethyl-2-methyl-3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]pentanoate
PubChem CID118983105
Molecular FormulaC44H44N2O3
Molecular Weight648.85 g/mol
Exact Mass648.34
IUPAC Name(3-ethyloxetan-3-yl)methyl 2-ethyl-2-methyl-3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]pentanoate
SMILESCCC(c1cccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1)C(C)(CC)C(=O)OCC1(CC)COC1
InChIInChI=1S/C44H44N2O3/c1-5-36(43(4,6-2)42(47)49-29-44(7-3)27-48-28-44)30-16-15-19-32(26-30)45-38-23-14-12-21-35(38)40-39(45)25-24-34-33-20-11-13-22-37(33)46(41(34)40)31-17-9-8-10-18-31/h8-26,36H,5-7,27-29H2,1-4H3
InChIKeyWUGZKYNMEUREIB-UHFFFAOYSA-N
XLogP10.76
TPSA45.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.85
LogP ≤ 510.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-ethyloxetan-3-yl)methyl 2-ethyl-2-methyl-3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]pentanoate?
The IUPAC name of (3-ethyloxetan-3-yl)methyl 2-ethyl-2-methyl-3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]pentanoate (CID 118983105) is (3-ethyloxetan-3-yl)methyl 2-ethyl-2-methyl-3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]pentanoate.
What is the SMILES notation for (3-ethyloxetan-3-yl)methyl 2-ethyl-2-methyl-3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]pentanoate?
The canonical SMILES for (3-ethyloxetan-3-yl)methyl 2-ethyl-2-methyl-3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]pentanoate is CCC(c1cccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1)C(C)(CC)C(=O)OCC1(CC)COC1.
What is the InChIKey of (3-ethyloxetan-3-yl)methyl 2-ethyl-2-methyl-3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]pentanoate?
The InChIKey is WUGZKYNMEUREIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H44N2O3/c1-5-36(43(4,6-2)42(47)49-29-44(7-3)27-48-28-44)30-16-15-19-32(26-30)45-38-23-14-12-21-35(38)40-39(45)25-24-34-33-20-11-13-22-37(33)46(41(34)40)31-17-9-8-10-18-31/h8-26,36H,5-7,27-29H2,1-4H3.
What are the key properties of (3-ethyloxetan-3-yl)methyl 2-ethyl-2-methyl-3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]pentanoate?
(3-ethyloxetan-3-yl)methyl 2-ethyl-2-methyl-3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]pentanoate has a molecular weight of 648.85 g/mol, XLogP of 10.76, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyloxetan-3-yl)methyl 2-ethyl-2-methyl-3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]pentanoate is sourced from PubChem (CID 118983105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).