1,4-bis[3-[methyl-bis(trimethylsilyloxy)silyl]propylamino]anthracene-9,10-dione;1-hydroxy-4-[3-[methyl-bis(trimethylsilyloxy)silyl]propylamino]anthracene-9,10-dione

C58H97N3O11Si9 — CID 54531479

IUPAC1,4-bis[3-[methyl-bis(trimethylsilyloxy)silyl]propylamino]anthracene-9,10-dione;1-hydroxy-4-[3-[methyl-bis(trimethylsilyloxy)silyl]propylamino]anthracene-9,10-dione
SMILESC[Si](C)(C)O[Si](C)(CCCNc1ccc(NCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)c2c1C(=O)c1ccccc1C2=O)O[Si](C)(C)C.C[Si](C)(C)O[Si](C)(CCCNc1ccc(O)c2c1C(=O)c1ccccc1C2=O)O[Si](C)(C)C
InChIInChI=1S/C34H62N2O6Si6.C24H35NO5Si3/c1-43(2,3)39-47(13,40-44(4,5)6)25-17-23-35-29-21-22-30(32-31(29)33(37)27-19-15-16-20-28(27)34(32)38)36-24-18-26-48(14,41-45(7,8)9)42-46(10,11)12;1-31(2,3)29-33(7,30-32(4,5)6)16-10-15-25-19-13-14-20(26)22-21(19)23(27)17-11-8-9-12-18(17)24(22)28/h15-16,19-22,35-36H,17-18,23-26H2,1-14H3;8-9,11-14,25-26H,10,15-16H2,1-7H3
InChIKeyYWWHOQLUUMSRFY-UHFFFAOYSA-N
MW1265.20 g/mol
LogP15.36
Rot. Bonds27

About 1,4-bis[3-[methyl-bis(trimethylsilyloxy)silyl]propylamino]anthracene-9,10-dione;1-hydroxy-4-[3-[methyl-bis(trimethylsilyloxy)silyl]propylamino]anthracene-9,10-dione

1,4-bis[3-[methyl-bis(trimethylsilyloxy)silyl]propylamino]anthracene-9,10-dione;1-hydroxy-4-[3-[methyl-bis(trimethylsilyloxy)silyl]propylamino]anthracene-9,10-dione (PubChem CID 54531479) has the molecular formula C58H97N3O11Si9 and a molecular weight of 1265.20 g/mol. Its IUPAC name is 1,4-bis[3-[methyl-bis(trimethylsilyloxy)silyl]propylamino]anthracene-9,10-dione;1-hydroxy-4-[3-[methyl-bis(trimethylsilyloxy)silyl]propylamino]anthracene-9,10-dione.

Molecular Properties

Compound Name1,4-bis[3-[methyl-bis(trimethylsilyloxy)silyl]propylamino]anthracene-9,10-dione;1-hydroxy-4-[3-[methyl-bis(trimethylsilyloxy)silyl]propylamino]anthracene-9,10-dione
PubChem CID54531479
Molecular FormulaC58H97N3O11Si9
Molecular Weight1265.20 g/mol
Exact Mass1263.50
IUPAC Name1,4-bis[3-[methyl-bis(trimethylsilyloxy)silyl]propylamino]anthracene-9,10-dione;1-hydroxy-4-[3-[methyl-bis(trimethylsilyloxy)silyl]propylamino]anthracene-9,10-dione
SMILESC[Si](C)(C)O[Si](C)(CCCNc1ccc(NCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)c2c1C(=O)c1ccccc1C2=O)O[Si](C)(C)C.C[Si](C)(C)O[Si](C)(CCCNc1ccc(O)c2c1C(=O)c1ccccc1C2=O)O[Si](C)(C)C
InChIInChI=1S/C34H62N2O6Si6.C24H35NO5Si3/c1-43(2,3)39-47(13,40-44(4,5)6)25-17-23-35-29-21-22-30(32-31(29)33(37)27-19-15-16-20-28(27)34(32)38)36-24-18-26-48(14,41-45(7,8)9)42-46(10,11)12;1-31(2,3)29-33(7,30-32(4,5)6)16-10-15-25-19-13-14-20(26)22-21(19)23(27)17-11-8-9-12-18(17)24(22)28/h15-16,19-22,35-36H,17-18,23-26H2,1-14H3;8-9,11-14,25-26H,10,15-16H2,1-7H3
InChIKeyYWWHOQLUUMSRFY-UHFFFAOYSA-N
XLogP15.36
TPSA179.98 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds27
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001265.20
LogP ≤ 515.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 1,4-bis[3-[methyl-bis(trimethylsilyloxy)silyl]propylamino]anthracene-9,10-dione;1-hydroxy-4-[3-[methyl-bis(trimethylsilyloxy)silyl]propylamino]anthracene-9,10-dione with MolForge

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Related Compounds

N-[2-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]ethyl]butanamide
CID 71188680
1-hydroxy-4-[2-(2-hydroxyethoxy)ethylamino]anthracene-9,10-dione
CID 135183207
1-(2,2-difluoropropylamino)-4-hydroxyanthracene-9,10-dione
CID 154257924
1-(2,2-diethoxyethylamino)-4-hydroxyanthracene-9,10-dione
CID 10247608
N-[2-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]ethyl]-2-pyridin-1-ium-1-ylacetamide
CID 169006741
1-(butylamino)-4,8-dihydroxy-5-methylanthracene-9,10-dione
CID 123883482
1-amino-9,10-dioxo-4-(3-trimethoxysilylpropylamino)anthracene-2-sulfonic acid
CID 88887362
1,5-dihydroxy-4,8-bis[2-(methylamino)ethylamino]anthracene-9,10-dione
CID 54278326
1,4-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione;ethane
CID 171638845
(2S)-2-amino-N-[2-[[4-[2-[[(2S)-2-aminopropanoyl]amino]ethylamino]-9,10-dioxoanthracen-1-yl]amino]ethyl]propanamide
CID 54590172
1-(benzylamino)-4-(butylamino)anthracene-9,10-dione
CID 13380586
1,4-dihydroxy-2-(octylamino)anthracene-9,10-dione
CID 12678915

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[3-[methyl-bis(trimethylsilyloxy)silyl]propylamino]anthracene-9,10-dione;1-hydroxy-4-[3-[methyl-bis(trimethylsilyloxy)silyl]propylamino]anthracene-9,10-dione?
The IUPAC name of 1,4-bis[3-[methyl-bis(trimethylsilyloxy)silyl]propylamino]anthracene-9,10-dione;1-hydroxy-4-[3-[methyl-bis(trimethylsilyloxy)silyl]propylamino]anthracene-9,10-dione (CID 54531479) is 1,4-bis[3-[methyl-bis(trimethylsilyloxy)silyl]propylamino]anthracene-9,10-dione;1-hydroxy-4-[3-[methyl-bis(trimethylsilyloxy)silyl]propylamino]anthracene-9,10-dione.
What is the SMILES notation for 1,4-bis[3-[methyl-bis(trimethylsilyloxy)silyl]propylamino]anthracene-9,10-dione;1-hydroxy-4-[3-[methyl-bis(trimethylsilyloxy)silyl]propylamino]anthracene-9,10-dione?
The canonical SMILES for 1,4-bis[3-[methyl-bis(trimethylsilyloxy)silyl]propylamino]anthracene-9,10-dione;1-hydroxy-4-[3-[methyl-bis(trimethylsilyloxy)silyl]propylamino]anthracene-9,10-dione is C[Si](C)(C)O[Si](C)(CCCNc1ccc(NCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)c2c1C(=O)c1ccccc1C2=O)O[Si](C)(C)C.C[Si](C)(C)O[Si](C)(CCCNc1ccc(O)c2c1C(=O)c1ccccc1C2=O)O[Si](C)(C)C.
What is the InChIKey of 1,4-bis[3-[methyl-bis(trimethylsilyloxy)silyl]propylamino]anthracene-9,10-dione;1-hydroxy-4-[3-[methyl-bis(trimethylsilyloxy)silyl]propylamino]anthracene-9,10-dione?
The InChIKey is YWWHOQLUUMSRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H62N2O6Si6.C24H35NO5Si3/c1-43(2,3)39-47(13,40-44(4,5)6)25-17-23-35-29-21-22-30(32-31(29)33(37)27-19-15-16-20-28(27)34(32)38)36-24-18-26-48(14,41-45(7,8)9)42-46(10,11)12;1-31(2,3)29-33(7,30-32(4,5)6)16-10-15-25-19-13-14-20(26)22-21(19)23(27)17-11-8-9-12-18(17)24(22)28/h15-16,19-22,35-36H,17-18,23-26H2,1-14H3;8-9,11-14,25-26H,10,15-16H2,1-7H3.
What are the key properties of 1,4-bis[3-[methyl-bis(trimethylsilyloxy)silyl]propylamino]anthracene-9,10-dione;1-hydroxy-4-[3-[methyl-bis(trimethylsilyloxy)silyl]propylamino]anthracene-9,10-dione?
1,4-bis[3-[methyl-bis(trimethylsilyloxy)silyl]propylamino]anthracene-9,10-dione;1-hydroxy-4-[3-[methyl-bis(trimethylsilyloxy)silyl]propylamino]anthracene-9,10-dione has a molecular weight of 1265.20 g/mol, XLogP of 15.36, 27 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[3-[methyl-bis(trimethylsilyloxy)silyl]propylamino]anthracene-9,10-dione;1-hydroxy-4-[3-[methyl-bis(trimethylsilyloxy)silyl]propylamino]anthracene-9,10-dione is sourced from PubChem (CID 54531479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).