(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol;3-[1-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2,6-dichloroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;3-(2,6-dichloro-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione

C62H64Cl4N6O7Si2 — CID 162232506

IUPAC(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol;3-[1-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2,6-dichloroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;3-(2,6-dichloro-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESCC(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)c3ccc(Cl)cc32)C1.O=C1NC(=O)C(c2c(Cl)[nH]c3cc(Cl)ccc23)=C1c1c[nH]c2ccccc12
InChIInChI=1S/C31H31Cl2N3O3Si.C20H11Cl2N3O2.C11H22O2Si/c1-31(2,3)40(4,5)39-19-12-11-18(15-19)36-24-14-17(32)10-13-21(24)25(28(36)33)27-26(29(37)35-30(27)38)22-16-34-23-9-7-6-8-20(22)23;21-9-5-6-11-14(7-9)24-18(22)15(11)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/t18-,19-;;9-,10+/m0.0/s1
InChIKeyZVPRUJBPRULBJQ-QIGOOTLBSA-N
MW1203.21 g/mol
LogP15.11
Rot. Bonds9

About (1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol;3-[1-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2,6-dichloroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;3-(2,6-dichloro-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione

(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol;3-[1-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2,6-dichloroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;3-(2,6-dichloro-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione (PubChem CID 162232506) has the molecular formula C62H64Cl4N6O7Si2 and a molecular weight of 1203.21 g/mol. Its IUPAC name is (1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol;3-[1-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2,6-dichloroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;3-(2,6-dichloro-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol;3-[1-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2,6-dichloroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;3-(2,6-dichloro-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione
PubChem CID162232506
Molecular FormulaC62H64Cl4N6O7Si2
Molecular Weight1203.21 g/mol
Exact Mass1200.31
IUPAC Name(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol;3-[1-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2,6-dichloroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;3-(2,6-dichloro-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESCC(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)c3ccc(Cl)cc32)C1.O=C1NC(=O)C(c2c(Cl)[nH]c3cc(Cl)ccc23)=C1c1c[nH]c2ccccc12
InChIInChI=1S/C31H31Cl2N3O3Si.C20H11Cl2N3O2.C11H22O2Si/c1-31(2,3)40(4,5)39-19-12-11-18(15-19)36-24-14-17(32)10-13-21(24)25(28(36)33)27-26(29(37)35-30(27)38)22-16-34-23-9-7-6-8-20(22)23;21-9-5-6-11-14(7-9)24-18(22)15(11)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/t18-,19-;;9-,10+/m0.0/s1
InChIKeyZVPRUJBPRULBJQ-QIGOOTLBSA-N
XLogP15.11
TPSA183.33 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001203.21
LogP ≤ 515.11
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'}

Analyze (1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol;3-[1-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2,6-dichloroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;3-(2,6-dichloro-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol;3-[1-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2,6-dichloroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;3-(2,6-dichloro-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The IUPAC name of (1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol;3-[1-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2,6-dichloroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;3-(2,6-dichloro-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione (CID 162232506) is (1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol;3-[1-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2,6-dichloroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;3-(2,6-dichloro-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for (1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol;3-[1-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2,6-dichloroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;3-(2,6-dichloro-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for (1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol;3-[1-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2,6-dichloroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;3-(2,6-dichloro-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione is 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)c3ccc(Cl)cc32)C1.O=C1NC(=O)C(c2c(Cl)[nH]c3cc(Cl)ccc23)=C1c1c[nH]c2ccccc12.
What is the InChIKey of (1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol;3-[1-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2,6-dichloroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;3-(2,6-dichloro-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The InChIKey is ZVPRUJBPRULBJQ-QIGOOTLBSA-N. The full InChI is InChI=1S/C31H31Cl2N3O3Si.C20H11Cl2N3O2.C11H22O2Si/c1-31(2,3)40(4,5)39-19-12-11-18(15-19)36-24-14-17(32)10-13-21(24)25(28(36)33)27-26(29(37)35-30(27)38)22-16-34-23-9-7-6-8-20(22)23;21-9-5-6-11-14(7-9)24-18(22)15(11)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/t18-,19-;;9-,10+/m0.0/s1.
What are the key properties of (1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol;3-[1-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2,6-dichloroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;3-(2,6-dichloro-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione?
(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol;3-[1-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2,6-dichloroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;3-(2,6-dichloro-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione has a molecular weight of 1203.21 g/mol, XLogP of 15.11, 9 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol;3-[1-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2,6-dichloroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;3-(2,6-dichloro-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 162232506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).