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

C63H68Br2Cl2N6O7Si2 — CID 157268690

IUPAC3-[5-bromo-1-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-chloroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;3-(5-bromo-2-chloro-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione;(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol;methane
SMILESC.CC(C)(C)[Si](C)(C)O[C@@H]1C=C[C@@H](O)C1.CC(C)(C)[Si](C)(C)O[C@@H]1C=C[C@H](n2c(Cl)c(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3cc(Br)ccc32)C1.O=C1NC(=O)C(c2c(Cl)[nH]c3ccc(Br)cc23)=C1c1c[nH]c2ccccc12
InChIInChI=1S/C31H31BrClN3O3Si.C20H11BrClN3O2.C11H22O2Si.CH4/c1-31(2,3)40(4,5)39-19-12-11-18(15-19)36-24-13-10-17(32)14-21(24)25(28(36)33)27-26(29(37)35-30(27)38)22-16-34-23-9-7-6-8-20(22)23;21-9-5-6-14-11(7-9)15(18(22)24-14)17-16(19(26)25-20(17)27)12-8-23-13-4-2-1-3-10(12)13;1-11(2,3)14(4,5)13-10-7-6-9(12)8-10;/h6-14,16,18-19,34H,15H2,1-5H3,(H,35,37,38);1-8,23-24H,(H,25,26,27);6-7,9-10,12H,8H2,1-5H3;1H4/t18-,19+;;9-,10-;/m0.1./s1
InChIKeyAYHBOTMVLRYAKQ-QSGLXHRTSA-N
MW1308.16 g/mol
LogP15.96
Rot. Bonds9

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

3-[5-bromo-1-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-chloroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;3-(5-bromo-2-chloro-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione;(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol;methane (PubChem CID 157268690) has the molecular formula C63H68Br2Cl2N6O7Si2 and a molecular weight of 1308.16 g/mol. Its IUPAC name is 3-[5-bromo-1-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-chloroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;3-(5-bromo-2-chloro-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione;(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol;methane.

Molecular Properties

Compound Name3-[5-bromo-1-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-chloroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;3-(5-bromo-2-chloro-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione;(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol;methane
PubChem CID157268690
Molecular FormulaC63H68Br2Cl2N6O7Si2
Molecular Weight1308.16 g/mol
Exact Mass1304.24
IUPAC Name3-[5-bromo-1-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-chloroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;3-(5-bromo-2-chloro-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione;(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol;methane
SMILESC.CC(C)(C)[Si](C)(C)O[C@@H]1C=C[C@@H](O)C1.CC(C)(C)[Si](C)(C)O[C@@H]1C=C[C@H](n2c(Cl)c(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3cc(Br)ccc32)C1.O=C1NC(=O)C(c2c(Cl)[nH]c3ccc(Br)cc23)=C1c1c[nH]c2ccccc12
InChIInChI=1S/C31H31BrClN3O3Si.C20H11BrClN3O2.C11H22O2Si.CH4/c1-31(2,3)40(4,5)39-19-12-11-18(15-19)36-24-13-10-17(32)14-21(24)25(28(36)33)27-26(29(37)35-30(27)38)22-16-34-23-9-7-6-8-20(22)23;21-9-5-6-14-11(7-9)15(18(22)24-14)17-16(19(26)25-20(17)27)12-8-23-13-4-2-1-3-10(12)13;1-11(2,3)14(4,5)13-10-7-6-9(12)8-10;/h6-14,16,18-19,34H,15H2,1-5H3,(H,35,37,38);1-8,23-24H,(H,25,26,27);6-7,9-10,12H,8H2,1-5H3;1H4/t18-,19+;;9-,10-;/m0.1./s1
InChIKeyAYHBOTMVLRYAKQ-QSGLXHRTSA-N
XLogP15.96
TPSA183.33 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001308.16
LogP ≤ 515.96
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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'}

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Related Compounds

3-[1-[(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-chloroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 11721008
3-[5-bromo-1-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-chloroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 58936555
3-(5-bromo-2-chloro-1H-indol-3-yl)-4-[1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]indol-3-yl]pyrrole-2,5-dione
CID 58936639
3-(5-bromo-2-chloro-1H-indol-3-yl)-4-[1-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]indol-3-yl]pyrrole-2,5-dione
CID 58936659
3-[1-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-chloroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 58936667
3-[1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-chloroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 58936682
3-[5-bromo-1-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-chloroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;7-bromo-3-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione
CID 157911837
3-(5-bromo-2-chloro-1H-indol-3-yl)-4-[1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]indol-3-yl]pyrrole-2,5-dione;2-[1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]indol-3-yl]acetamide;methyl 2-(5-bromo-2-chloro-1H-indol-3-yl)-2-oxoacetate
CID 158347296
3-(5-bromo-2-chloro-1H-indol-3-yl)-4-[1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]indol-3-yl]pyrrole-2,5-dione;2-[1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]indol-3-yl]acetamide;methane;methyl 2-(5-bromo-2-chloro-1H-indol-3-yl)-2-oxoacetate
CID 158855878
3-[2-chloro-1-[(4R)-4-chlorocyclohex-2-en-1-yl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;(1S,4R)-4-chlorocyclohex-2-en-1-ol;3-(2-chloro-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 159350608
N-[(1R)-4-[2-chloro-3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]cyclohex-2-en-1-yl]-methylboronamidic acid;3-(2-chloro-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione;N-[(1R,4S)-4-hydroxycyclohex-2-en-1-yl]-methylboronamidic acid
CID 160151071
[(1S)-4-[2-chloro-3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]cyclohex-2-en-1-yl] acetate;3-(2-chloro-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione;[(1S,4S)-4-hydroxycyclohex-2-en-1-yl] acetate
CID 160369755

Frequently Asked Questions

What is the IUPAC name of 3-[5-bromo-1-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-chloroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;3-(5-bromo-2-chloro-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione;(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol;methane?
The IUPAC name of 3-[5-bromo-1-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-chloroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;3-(5-bromo-2-chloro-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione;(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol;methane (CID 157268690) is 3-[5-bromo-1-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-chloroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;3-(5-bromo-2-chloro-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione;(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol;methane.
What is the SMILES notation for 3-[5-bromo-1-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-chloroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;3-(5-bromo-2-chloro-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione;(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol;methane?
The canonical SMILES for 3-[5-bromo-1-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-chloroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;3-(5-bromo-2-chloro-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione;(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol;methane is C.CC(C)(C)[Si](C)(C)O[C@@H]1C=C[C@@H](O)C1.CC(C)(C)[Si](C)(C)O[C@@H]1C=C[C@H](n2c(Cl)c(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3cc(Br)ccc32)C1.O=C1NC(=O)C(c2c(Cl)[nH]c3ccc(Br)cc23)=C1c1c[nH]c2ccccc12.
What is the InChIKey of 3-[5-bromo-1-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-chloroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;3-(5-bromo-2-chloro-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione;(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol;methane?
The InChIKey is AYHBOTMVLRYAKQ-QSGLXHRTSA-N. The full InChI is InChI=1S/C31H31BrClN3O3Si.C20H11BrClN3O2.C11H22O2Si.CH4/c1-31(2,3)40(4,5)39-19-12-11-18(15-19)36-24-13-10-17(32)14-21(24)25(28(36)33)27-26(29(37)35-30(27)38)22-16-34-23-9-7-6-8-20(22)23;21-9-5-6-14-11(7-9)15(18(22)24-14)17-16(19(26)25-20(17)27)12-8-23-13-4-2-1-3-10(12)13;1-11(2,3)14(4,5)13-10-7-6-9(12)8-10;/h6-14,16,18-19,34H,15H2,1-5H3,(H,35,37,38);1-8,23-24H,(H,25,26,27);6-7,9-10,12H,8H2,1-5H3;1H4/t18-,19+;;9-,10-;/m0.1./s1.
What are the key properties of 3-[5-bromo-1-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-chloroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;3-(5-bromo-2-chloro-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione;(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol;methane?
3-[5-bromo-1-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-chloroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;3-(5-bromo-2-chloro-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione;(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol;methane has a molecular weight of 1308.16 g/mol, XLogP of 15.96, 9 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-bromo-1-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-chloroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;3-(5-bromo-2-chloro-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione;(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol;methane is sourced from PubChem (CID 157268690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).