(3-butyloxetan-3-yl)methyl 2-ethyl-3-[4-[[3-(9H-fluoren-9-yl)-5-phenylindolo[2,3-b]carbazol-7-yl]methyl]phenyl]-2-methylpentanoate

C60H58N2O3 — CID 118983089

IUPAC(3-butyloxetan-3-yl)methyl 2-ethyl-3-[4-[[3-(9H-fluoren-9-yl)-5-phenylindolo[2,3-b]carbazol-7-yl]methyl]phenyl]-2-methylpentanoate
SMILESCCCCC1(COC(=O)C(C)(CC)C(CC)c2ccc(Cn3c4ccccc4c4cc5c6ccc(C7c8ccccc8-c8ccccc87)cc6n(-c6ccccc6)c5cc43)cc2)COC1
InChIInChI=1S/C60H58N2O3/c1-5-8-32-60(37-64-38-60)39-65-58(63)59(4,7-3)52(6-2)41-28-26-40(27-29-41)36-61-53-25-17-16-22-46(53)50-34-51-47-31-30-42(57-48-23-14-12-20-44(48)45-21-13-15-24-49(45)57)33-55(47)62(56(51)35-54(50)61)43-18-10-9-11-19-43/h9-31,33-35,52,57H,5-8,32,36-39H2,1-4H3
InChIKeyYDFKTXXAWMGJET-UHFFFAOYSA-N
MW855.14 g/mol
LogP14.76
Rot. Bonds14

About (3-butyloxetan-3-yl)methyl 2-ethyl-3-[4-[[3-(9H-fluoren-9-yl)-5-phenylindolo[2,3-b]carbazol-7-yl]methyl]phenyl]-2-methylpentanoate

(3-butyloxetan-3-yl)methyl 2-ethyl-3-[4-[[3-(9H-fluoren-9-yl)-5-phenylindolo[2,3-b]carbazol-7-yl]methyl]phenyl]-2-methylpentanoate (PubChem CID 118983089) has the molecular formula C60H58N2O3 and a molecular weight of 855.14 g/mol. Its IUPAC name is (3-butyloxetan-3-yl)methyl 2-ethyl-3-[4-[[3-(9H-fluoren-9-yl)-5-phenylindolo[2,3-b]carbazol-7-yl]methyl]phenyl]-2-methylpentanoate.

Molecular Properties

Compound Name(3-butyloxetan-3-yl)methyl 2-ethyl-3-[4-[[3-(9H-fluoren-9-yl)-5-phenylindolo[2,3-b]carbazol-7-yl]methyl]phenyl]-2-methylpentanoate
PubChem CID118983089
Molecular FormulaC60H58N2O3
Molecular Weight855.14 g/mol
Exact Mass854.44
IUPAC Name(3-butyloxetan-3-yl)methyl 2-ethyl-3-[4-[[3-(9H-fluoren-9-yl)-5-phenylindolo[2,3-b]carbazol-7-yl]methyl]phenyl]-2-methylpentanoate
SMILESCCCCC1(COC(=O)C(C)(CC)C(CC)c2ccc(Cn3c4ccccc4c4cc5c6ccc(C7c8ccccc8-c8ccccc87)cc6n(-c6ccccc6)c5cc43)cc2)COC1
InChIInChI=1S/C60H58N2O3/c1-5-8-32-60(37-64-38-60)39-65-58(63)59(4,7-3)52(6-2)41-28-26-40(27-29-41)36-61-53-25-17-16-22-46(53)50-34-51-47-31-30-42(57-48-23-14-12-20-44(48)45-21-13-15-24-49(45)57)33-55(47)62(56(51)35-54(50)61)43-18-10-9-11-19-43/h9-31,33-35,52,57H,5-8,32,36-39H2,1-4H3
InChIKeyYDFKTXXAWMGJET-UHFFFAOYSA-N
XLogP14.76
TPSA45.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.14
LogP ≤ 514.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-butyloxetan-3-yl)methyl 2-ethyl-3-[4-[[3-(9H-fluoren-9-yl)-5-phenylindolo[2,3-b]carbazol-7-yl]methyl]phenyl]-2-methylpentanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3-butyloxetan-3-yl)methyl 2-ethyl-3-[4-[[3-(9H-fluoren-9-yl)-5-phenylindolo[2,3-b]carbazol-7-yl]methyl]phenyl]-2-methylpentanoate?
The IUPAC name of (3-butyloxetan-3-yl)methyl 2-ethyl-3-[4-[[3-(9H-fluoren-9-yl)-5-phenylindolo[2,3-b]carbazol-7-yl]methyl]phenyl]-2-methylpentanoate (CID 118983089) is (3-butyloxetan-3-yl)methyl 2-ethyl-3-[4-[[3-(9H-fluoren-9-yl)-5-phenylindolo[2,3-b]carbazol-7-yl]methyl]phenyl]-2-methylpentanoate.
What is the SMILES notation for (3-butyloxetan-3-yl)methyl 2-ethyl-3-[4-[[3-(9H-fluoren-9-yl)-5-phenylindolo[2,3-b]carbazol-7-yl]methyl]phenyl]-2-methylpentanoate?
The canonical SMILES for (3-butyloxetan-3-yl)methyl 2-ethyl-3-[4-[[3-(9H-fluoren-9-yl)-5-phenylindolo[2,3-b]carbazol-7-yl]methyl]phenyl]-2-methylpentanoate is CCCCC1(COC(=O)C(C)(CC)C(CC)c2ccc(Cn3c4ccccc4c4cc5c6ccc(C7c8ccccc8-c8ccccc87)cc6n(-c6ccccc6)c5cc43)cc2)COC1.
What is the InChIKey of (3-butyloxetan-3-yl)methyl 2-ethyl-3-[4-[[3-(9H-fluoren-9-yl)-5-phenylindolo[2,3-b]carbazol-7-yl]methyl]phenyl]-2-methylpentanoate?
The InChIKey is YDFKTXXAWMGJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H58N2O3/c1-5-8-32-60(37-64-38-60)39-65-58(63)59(4,7-3)52(6-2)41-28-26-40(27-29-41)36-61-53-25-17-16-22-46(53)50-34-51-47-31-30-42(57-48-23-14-12-20-44(48)45-21-13-15-24-49(45)57)33-55(47)62(56(51)35-54(50)61)43-18-10-9-11-19-43/h9-31,33-35,52,57H,5-8,32,36-39H2,1-4H3.
What are the key properties of (3-butyloxetan-3-yl)methyl 2-ethyl-3-[4-[[3-(9H-fluoren-9-yl)-5-phenylindolo[2,3-b]carbazol-7-yl]methyl]phenyl]-2-methylpentanoate?
(3-butyloxetan-3-yl)methyl 2-ethyl-3-[4-[[3-(9H-fluoren-9-yl)-5-phenylindolo[2,3-b]carbazol-7-yl]methyl]phenyl]-2-methylpentanoate has a molecular weight of 855.14 g/mol, XLogP of 14.76, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-butyloxetan-3-yl)methyl 2-ethyl-3-[4-[[3-(9H-fluoren-9-yl)-5-phenylindolo[2,3-b]carbazol-7-yl]methyl]phenyl]-2-methylpentanoate is sourced from PubChem (CID 118983089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).