(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol;3-[1-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-chloroindol-3-yl]-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;3-(2-chloro-1H-indol-3-yl)-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;methane

C65H74Cl2N6O9Si2 — CID 157390455

IUPAC(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol;3-[1-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-chloroindol-3-yl]-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;3-(2-chloro-1H-indol-3-yl)-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;methane
SMILESC.CC(C)(C)[Si](C)(C)O[C@@H]1C=C[C@@H](O)C1.COc1ccc2[nH]cc(C3=C(c4c(Cl)[nH]c5ccccc45)C(=O)NC3=O)c2c1.COc1ccc2[nH]cc(C3=C(c4c(Cl)n([C@H]5C=C[C@@H](O[Si](C)(C)C(C)(C)C)C5)c5ccccc45)C(=O)NC3=O)c2c1
InChIInChI=1S/C32H34ClN3O4Si.C21H14ClN3O3.C11H22O2Si.CH4/c1-32(2,3)41(5,6)40-20-12-11-18(15-20)36-25-10-8-7-9-21(25)26(29(36)33)28-27(30(37)35-31(28)38)23-17-34-24-14-13-19(39-4)16-22(23)24;1-28-10-6-7-14-12(8-10)13(9-23-14)17-18(21(27)25-20(17)26)16-11-4-2-3-5-15(11)24-19(16)22;1-11(2,3)14(4,5)13-10-7-6-9(12)8-10;/h7-14,16-18,20,34H,15H2,1-6H3,(H,35,37,38);2-9,23-24H,1H3,(H,25,26,27);6-7,9-10,12H,8H2,1-5H3;1H4/t18-,20+;;9-,10-;/m0.1./s1
InChIKeyBLYDBACIKVTIMM-MBBLJQKLSA-N
MW1210.42 g/mol
LogP14.46
Rot. Bonds11

About (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol;3-[1-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-chloroindol-3-yl]-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;3-(2-chloro-1H-indol-3-yl)-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;methane

(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol;3-[1-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-chloroindol-3-yl]-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;3-(2-chloro-1H-indol-3-yl)-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;methane (PubChem CID 157390455) has the molecular formula C65H74Cl2N6O9Si2 and a molecular weight of 1210.42 g/mol. Its IUPAC name is (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol;3-[1-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-chloroindol-3-yl]-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;3-(2-chloro-1H-indol-3-yl)-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;methane.

Molecular Properties

Compound Name(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol;3-[1-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-chloroindol-3-yl]-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;3-(2-chloro-1H-indol-3-yl)-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;methane
PubChem CID157390455
Molecular FormulaC65H74Cl2N6O9Si2
Molecular Weight1210.42 g/mol
Exact Mass1208.44
IUPAC Name(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol;3-[1-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-chloroindol-3-yl]-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;3-(2-chloro-1H-indol-3-yl)-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;methane
SMILESC.CC(C)(C)[Si](C)(C)O[C@@H]1C=C[C@@H](O)C1.COc1ccc2[nH]cc(C3=C(c4c(Cl)[nH]c5ccccc45)C(=O)NC3=O)c2c1.COc1ccc2[nH]cc(C3=C(c4c(Cl)n([C@H]5C=C[C@@H](O[Si](C)(C)C(C)(C)C)C5)c5ccccc45)C(=O)NC3=O)c2c1
InChIInChI=1S/C32H34ClN3O4Si.C21H14ClN3O3.C11H22O2Si.CH4/c1-32(2,3)41(5,6)40-20-12-11-18(15-20)36-25-10-8-7-9-21(25)26(29(36)33)28-27(30(37)35-31(28)38)23-17-34-24-14-13-19(39-4)16-22(23)24;1-28-10-6-7-14-12(8-10)13(9-23-14)17-18(21(27)25-20(17)26)16-11-4-2-3-5-15(11)24-19(16)22;1-11(2,3)14(4,5)13-10-7-6-9(12)8-10;/h7-14,16-18,20,34H,15H2,1-6H3,(H,35,37,38);2-9,23-24H,1H3,(H,25,26,27);6-7,9-10,12H,8H2,1-5H3;1H4/t18-,20+;;9-,10-;/m0.1./s1
InChIKeyBLYDBACIKVTIMM-MBBLJQKLSA-N
XLogP14.46
TPSA201.79 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001210.42
LogP ≤ 514.46
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol;3-[1-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-chloroindol-3-yl]-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;3-(2-chloro-1H-indol-3-yl)-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol;3-[1-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-chloroindol-3-yl]-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;3-(2-chloro-1H-indol-3-yl)-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;methane?
The IUPAC name of (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol;3-[1-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-chloroindol-3-yl]-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;3-(2-chloro-1H-indol-3-yl)-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;methane (CID 157390455) is (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol;3-[1-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-chloroindol-3-yl]-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;3-(2-chloro-1H-indol-3-yl)-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;methane.
What is the SMILES notation for (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol;3-[1-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-chloroindol-3-yl]-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;3-(2-chloro-1H-indol-3-yl)-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;methane?
The canonical SMILES for (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol;3-[1-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-chloroindol-3-yl]-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;3-(2-chloro-1H-indol-3-yl)-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;methane is C.CC(C)(C)[Si](C)(C)O[C@@H]1C=C[C@@H](O)C1.COc1ccc2[nH]cc(C3=C(c4c(Cl)[nH]c5ccccc45)C(=O)NC3=O)c2c1.COc1ccc2[nH]cc(C3=C(c4c(Cl)n([C@H]5C=C[C@@H](O[Si](C)(C)C(C)(C)C)C5)c5ccccc45)C(=O)NC3=O)c2c1.
What is the InChIKey of (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol;3-[1-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-chloroindol-3-yl]-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;3-(2-chloro-1H-indol-3-yl)-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;methane?
The InChIKey is BLYDBACIKVTIMM-MBBLJQKLSA-N. The full InChI is InChI=1S/C32H34ClN3O4Si.C21H14ClN3O3.C11H22O2Si.CH4/c1-32(2,3)41(5,6)40-20-12-11-18(15-20)36-25-10-8-7-9-21(25)26(29(36)33)28-27(30(37)35-31(28)38)23-17-34-24-14-13-19(39-4)16-22(23)24;1-28-10-6-7-14-12(8-10)13(9-23-14)17-18(21(27)25-20(17)26)16-11-4-2-3-5-15(11)24-19(16)22;1-11(2,3)14(4,5)13-10-7-6-9(12)8-10;/h7-14,16-18,20,34H,15H2,1-6H3,(H,35,37,38);2-9,23-24H,1H3,(H,25,26,27);6-7,9-10,12H,8H2,1-5H3;1H4/t18-,20+;;9-,10-;/m0.1./s1.
What are the key properties of (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol;3-[1-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-chloroindol-3-yl]-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;3-(2-chloro-1H-indol-3-yl)-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;methane?
(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol;3-[1-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-chloroindol-3-yl]-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;3-(2-chloro-1H-indol-3-yl)-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;methane has a molecular weight of 1210.42 g/mol, XLogP of 14.46, 11 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol;3-[1-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-chloroindol-3-yl]-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;3-(2-chloro-1H-indol-3-yl)-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;methane is sourced from PubChem (CID 157390455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).