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

C65H72Br2Cl2N6O9Si2 — CID 161380633

IUPAC3-[5-bromo-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-(5-bromo-2-chloro-1H-indol-3-yl)-4-(5-methoxy-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.COc1ccc2[nH]cc(C3=C(c4c(Cl)[nH]c5ccc(Br)cc45)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)c5ccc(Br)cc45)C(=O)NC3=O)c2c1
InChIInChI=1S/C32H33BrClN3O4Si.C21H13BrClN3O3.C11H22O2Si.CH4/c1-32(2,3)42(5,6)41-20-9-8-18(14-20)37-25-12-7-17(33)13-22(25)26(29(37)34)28-27(30(38)36-31(28)39)23-16-35-24-11-10-19(40-4)15-21(23)24;1-29-10-3-5-14-11(7-10)13(8-24-14)17-18(21(28)26-20(17)27)16-12-6-9(22)2-4-15(12)25-19(16)23;1-11(2,3)14(4,5)13-10-7-6-9(12)8-10;/h7-13,15-16,18,20,35H,14H2,1-6H3,(H,36,38,39);2-8,24-25H,1H3,(H,26,27,28);6-7,9-10,12H,8H2,1-5H3;1H4/t18-,20+;;9-,10-;/m0.1./s1
InChIKeyVRRFDNGOLQSJKZ-MBBLJQKLSA-N
MW1368.21 g/mol
LogP15.98
Rot. Bonds11

About 3-[5-bromo-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-(5-bromo-2-chloro-1H-indol-3-yl)-4-(5-methoxy-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-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;3-(5-bromo-2-chloro-1H-indol-3-yl)-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol;methane (PubChem CID 161380633) has the molecular formula C65H72Br2Cl2N6O9Si2 and a molecular weight of 1368.21 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-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;3-(5-bromo-2-chloro-1H-indol-3-yl)-4-(5-methoxy-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-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;3-(5-bromo-2-chloro-1H-indol-3-yl)-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol;methane
PubChem CID161380633
Molecular FormulaC65H72Br2Cl2N6O9Si2
Molecular Weight1368.21 g/mol
Exact Mass1364.26
IUPAC Name3-[5-bromo-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-(5-bromo-2-chloro-1H-indol-3-yl)-4-(5-methoxy-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.COc1ccc2[nH]cc(C3=C(c4c(Cl)[nH]c5ccc(Br)cc45)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)c5ccc(Br)cc45)C(=O)NC3=O)c2c1
InChIInChI=1S/C32H33BrClN3O4Si.C21H13BrClN3O3.C11H22O2Si.CH4/c1-32(2,3)42(5,6)41-20-9-8-18(14-20)37-25-12-7-17(33)13-22(25)26(29(37)34)28-27(30(38)36-31(28)39)23-16-35-24-11-10-19(40-4)15-21(23)24;1-29-10-3-5-14-11(7-10)13(8-24-14)17-18(21(28)26-20(17)27)16-12-6-9(22)2-4-15(12)25-19(16)23;1-11(2,3)14(4,5)13-10-7-6-9(12)8-10;/h7-13,15-16,18,20,35H,14H2,1-6H3,(H,36,38,39);2-8,24-25H,1H3,(H,26,27,28);6-7,9-10,12H,8H2,1-5H3;1H4/t18-,20+;;9-,10-;/m0.1./s1
InChIKeyVRRFDNGOLQSJKZ-MBBLJQKLSA-N
XLogP15.98
TPSA201.79 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001368.21
LogP ≤ 515.98
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 3-[5-bromo-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-(5-bromo-2-chloro-1H-indol-3-yl)-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol;methane with MolForge

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Related Compounds

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
CID 58936610
3-[5-bromo-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
CID 58936627
3-(5-bromo-2-chloro-1H-indol-3-yl)-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione
CID 58936628
3-[1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-5-methoxyindol-3-yl]-4-(2-chloro-1H-indol-3-yl)pyrrole-2,5-dione
CID 58936675
1-amino-3-[5-bromo-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
CID 142254174
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
(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
3-(5-bromo-2-chloro-1H-indol-3-yl)-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;methane;2-(5-methoxy-1H-indol-3-yl)acetamide;methyl 2-(5-bromo-2-chloro-1H-indol-3-yl)-2-oxoacetate
CID 158700534
3-(2-bromo-1H-indol-3-yl)-4-(1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione;[(1R)-4-[2-bromo-3-[4-(1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]-2,5-dioxopyrrol-3-yl]indol-1-yl]cyclohex-2-en-1-yl] acetate;[(1R,4S)-4-hydroxycyclohex-2-en-1-yl] acetate
CID 158844030
3-[5-bromo-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;7-bromo-3-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-19-methoxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione
CID 160473450
2-[1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-5-methoxyindol-3-yl]acetamide;3-[1-[(4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-5-methoxyindol-3-yl]-4-(2-chloro-1H-indol-3-yl)pyrrole-2,5-dione;methyl 2-(2-chloro-1H-indol-3-yl)-2-oxoacetate
CID 162079701
3-[1-[(1S,4R)-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
CID 101772726

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-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;3-(5-bromo-2-chloro-1H-indol-3-yl)-4-(5-methoxy-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-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;3-(5-bromo-2-chloro-1H-indol-3-yl)-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol;methane (CID 161380633) is 3-[5-bromo-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-(5-bromo-2-chloro-1H-indol-3-yl)-4-(5-methoxy-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-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;3-(5-bromo-2-chloro-1H-indol-3-yl)-4-(5-methoxy-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-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;3-(5-bromo-2-chloro-1H-indol-3-yl)-4-(5-methoxy-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.COc1ccc2[nH]cc(C3=C(c4c(Cl)[nH]c5ccc(Br)cc45)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)c5ccc(Br)cc45)C(=O)NC3=O)c2c1.
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-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;3-(5-bromo-2-chloro-1H-indol-3-yl)-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol;methane?
The InChIKey is VRRFDNGOLQSJKZ-MBBLJQKLSA-N. The full InChI is InChI=1S/C32H33BrClN3O4Si.C21H13BrClN3O3.C11H22O2Si.CH4/c1-32(2,3)42(5,6)41-20-9-8-18(14-20)37-25-12-7-17(33)13-22(25)26(29(37)34)28-27(30(38)36-31(28)39)23-16-35-24-11-10-19(40-4)15-21(23)24;1-29-10-3-5-14-11(7-10)13(8-24-14)17-18(21(28)26-20(17)27)16-12-6-9(22)2-4-15(12)25-19(16)23;1-11(2,3)14(4,5)13-10-7-6-9(12)8-10;/h7-13,15-16,18,20,35H,14H2,1-6H3,(H,36,38,39);2-8,24-25H,1H3,(H,26,27,28);6-7,9-10,12H,8H2,1-5H3;1H4/t18-,20+;;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-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;3-(5-bromo-2-chloro-1H-indol-3-yl)-4-(5-methoxy-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-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;3-(5-bromo-2-chloro-1H-indol-3-yl)-4-(5-methoxy-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 1368.21 g/mol, XLogP of 15.98, 11 rotatable bonds, 6 hydrogen bond donors, and 10 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-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione;3-(5-bromo-2-chloro-1H-indol-3-yl)-4-(5-methoxy-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 161380633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).