9,10-bis(4-methylnaphthalen-1-yl)-2-[7-tri(propan-2-yl)silylnaphthalen-2-yl]anthracene-9,10-diol;1-bromo-4-methylnaphthalene;oxolane;2-[7-tri(propan-2-yl)silylnaphthalen-2-yl]anthracene-9,10-dione

C103H105BrO5Si2 — CID 157471558

IUPAC9,10-bis(4-methylnaphthalen-1-yl)-2-[7-tri(propan-2-yl)silylnaphthalen-2-yl]anthracene-9,10-diol;1-bromo-4-methylnaphthalene;oxolane;2-[7-tri(propan-2-yl)silylnaphthalen-2-yl]anthracene-9,10-dione
SMILESC1CCOC1.CC(C)[Si](c1ccc2ccc(-c3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2c1)(C(C)C)C(C)C.Cc1ccc(Br)c2ccccc12.Cc1ccc(C2(O)c3ccccc3C(O)(c3ccc(C)c4ccccc34)c3cc(-c4ccc5ccc([Si](C(C)C)(C(C)C)C(C)C)cc5c4)ccc32)c2ccccc12
InChIInChI=1S/C55H54O2Si.C33H34O2Si.C11H9Br.C4H8O/c1-34(2)58(35(3)4,36(5)6)43-27-25-39-23-24-40(31-42(39)32-43)41-26-30-52-53(33-41)55(57,49-29-22-38(8)45-16-10-12-18-47(45)49)51-20-14-13-19-50(51)54(52,56)48-28-21-37(7)44-15-9-11-17-46(44)48;1-20(2)36(21(3)4,22(5)6)27-15-13-23-11-12-24(17-26(23)18-27)25-14-16-30-31(19-25)33(35)29-10-8-7-9-28(29)32(30)34;1-8-6-7-11(12)10-5-3-2-4-9(8)10;1-2-4-5-3-1/h9-36,56-57H,1-8H3;7-22H,1-6H3;2-7H,1H3;1-4H2
InChIKeyBVCDLJHJPQQEKB-UHFFFAOYSA-N
MW1559.04 g/mol
LogP26.07
Rot. Bonds12

About 9,10-bis(4-methylnaphthalen-1-yl)-2-[7-tri(propan-2-yl)silylnaphthalen-2-yl]anthracene-9,10-diol;1-bromo-4-methylnaphthalene;oxolane;2-[7-tri(propan-2-yl)silylnaphthalen-2-yl]anthracene-9,10-dione

9,10-bis(4-methylnaphthalen-1-yl)-2-[7-tri(propan-2-yl)silylnaphthalen-2-yl]anthracene-9,10-diol;1-bromo-4-methylnaphthalene;oxolane;2-[7-tri(propan-2-yl)silylnaphthalen-2-yl]anthracene-9,10-dione (PubChem CID 157471558) has the molecular formula C103H105BrO5Si2 and a molecular weight of 1559.04 g/mol. Its IUPAC name is 9,10-bis(4-methylnaphthalen-1-yl)-2-[7-tri(propan-2-yl)silylnaphthalen-2-yl]anthracene-9,10-diol;1-bromo-4-methylnaphthalene;oxolane;2-[7-tri(propan-2-yl)silylnaphthalen-2-yl]anthracene-9,10-dione.

Molecular Properties

Compound Name9,10-bis(4-methylnaphthalen-1-yl)-2-[7-tri(propan-2-yl)silylnaphthalen-2-yl]anthracene-9,10-diol;1-bromo-4-methylnaphthalene;oxolane;2-[7-tri(propan-2-yl)silylnaphthalen-2-yl]anthracene-9,10-dione
PubChem CID157471558
Molecular FormulaC103H105BrO5Si2
Molecular Weight1559.04 g/mol
Exact Mass1556.67
IUPAC Name9,10-bis(4-methylnaphthalen-1-yl)-2-[7-tri(propan-2-yl)silylnaphthalen-2-yl]anthracene-9,10-diol;1-bromo-4-methylnaphthalene;oxolane;2-[7-tri(propan-2-yl)silylnaphthalen-2-yl]anthracene-9,10-dione
SMILESC1CCOC1.CC(C)[Si](c1ccc2ccc(-c3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2c1)(C(C)C)C(C)C.Cc1ccc(Br)c2ccccc12.Cc1ccc(C2(O)c3ccccc3C(O)(c3ccc(C)c4ccccc34)c3cc(-c4ccc5ccc([Si](C(C)C)(C(C)C)C(C)C)cc5c4)ccc32)c2ccccc12
InChIInChI=1S/C55H54O2Si.C33H34O2Si.C11H9Br.C4H8O/c1-34(2)58(35(3)4,36(5)6)43-27-25-39-23-24-40(31-42(39)32-43)41-26-30-52-53(33-41)55(57,49-29-22-38(8)45-16-10-12-18-47(45)49)51-20-14-13-19-50(51)54(52,56)48-28-21-37(7)44-15-9-11-17-46(44)48;1-20(2)36(21(3)4,22(5)6)27-15-13-23-11-12-24(17-26(23)18-27)25-14-16-30-31(19-25)33(35)29-10-8-7-9-28(29)32(30)34;1-8-6-7-11(12)10-5-3-2-4-9(8)10;1-2-4-5-3-1/h9-36,56-57H,1-8H3;7-22H,1-6H3;2-7H,1H3;1-4H2
InChIKeyBVCDLJHJPQQEKB-UHFFFAOYSA-N
XLogP26.07
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms111
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001559.04
LogP ≤ 526.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 9,10-bis(4-methylnaphthalen-1-yl)-2-[7-tri(propan-2-yl)silylnaphthalen-2-yl]anthracene-9,10-diol;1-bromo-4-methylnaphthalene;oxolane;2-[7-tri(propan-2-yl)silylnaphthalen-2-yl]anthracene-9,10-dione with MolForge

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Related Compounds

lithium;acetic acid;2-bromoanthracene-9,10-dione;2-bromo-9,10-dinaphthalen-2-ylanthracene;2-bromonaphthalene;butane;9,10-dinaphthalen-2-ylanthracene-9,10-diol;oxolane;hydrofluoride
CID 160535632
2-bromofluoren-9-one;oxolane
CID 175333740
2-(4-methylnaphthalen-1-yl)-9-[7-[9-(4-methylnaphthalen-1-yl)-1,10-phenanthrolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline
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2,7-dinaphthalen-2-ylfluoren-9-one
CID 59245491
2-(9-oxofluoren-2-yl)fluoren-9-one
CID 86119721
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CID 141288908
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CID 164732050
magnesium;2-bromofluoren-9-one;carbanide;2-(N-dibenzofuran-4-yl-3-phenylanilino)fluoren-9-one;2-(N-dibenzofuran-4-yl-3-phenylanilino)-9-methylfluoren-9-ol;methane;oxolane;N-(3-phenylphenyl)dibenzofuran-4-amine;bromide
CID 158606667
2-[5-(9,10-dioxophenanthren-2-yl)naphthalen-1-yl]phenanthrene-9,10-dione
CID 58300937
(3S)-3-methyl-3-(4-methylnaphthalen-1-yl)-2-benzofuran-1-one
CID 125478546
10,10-dimethyl-7-(4-methylnaphthalen-1-yl)-17-naphthalen-1-yl-14,21-diphenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-14,21-diol
CID 91590613
9,10-bis(6-bromo-2-pyridinyl)-2-phenylanthracene-9,10-diol
CID 121295185

Frequently Asked Questions

What is the IUPAC name of 9,10-bis(4-methylnaphthalen-1-yl)-2-[7-tri(propan-2-yl)silylnaphthalen-2-yl]anthracene-9,10-diol;1-bromo-4-methylnaphthalene;oxolane;2-[7-tri(propan-2-yl)silylnaphthalen-2-yl]anthracene-9,10-dione?
The IUPAC name of 9,10-bis(4-methylnaphthalen-1-yl)-2-[7-tri(propan-2-yl)silylnaphthalen-2-yl]anthracene-9,10-diol;1-bromo-4-methylnaphthalene;oxolane;2-[7-tri(propan-2-yl)silylnaphthalen-2-yl]anthracene-9,10-dione (CID 157471558) is 9,10-bis(4-methylnaphthalen-1-yl)-2-[7-tri(propan-2-yl)silylnaphthalen-2-yl]anthracene-9,10-diol;1-bromo-4-methylnaphthalene;oxolane;2-[7-tri(propan-2-yl)silylnaphthalen-2-yl]anthracene-9,10-dione.
What is the SMILES notation for 9,10-bis(4-methylnaphthalen-1-yl)-2-[7-tri(propan-2-yl)silylnaphthalen-2-yl]anthracene-9,10-diol;1-bromo-4-methylnaphthalene;oxolane;2-[7-tri(propan-2-yl)silylnaphthalen-2-yl]anthracene-9,10-dione?
The canonical SMILES for 9,10-bis(4-methylnaphthalen-1-yl)-2-[7-tri(propan-2-yl)silylnaphthalen-2-yl]anthracene-9,10-diol;1-bromo-4-methylnaphthalene;oxolane;2-[7-tri(propan-2-yl)silylnaphthalen-2-yl]anthracene-9,10-dione is C1CCOC1.CC(C)[Si](c1ccc2ccc(-c3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2c1)(C(C)C)C(C)C.Cc1ccc(Br)c2ccccc12.Cc1ccc(C2(O)c3ccccc3C(O)(c3ccc(C)c4ccccc34)c3cc(-c4ccc5ccc([Si](C(C)C)(C(C)C)C(C)C)cc5c4)ccc32)c2ccccc12.
What is the InChIKey of 9,10-bis(4-methylnaphthalen-1-yl)-2-[7-tri(propan-2-yl)silylnaphthalen-2-yl]anthracene-9,10-diol;1-bromo-4-methylnaphthalene;oxolane;2-[7-tri(propan-2-yl)silylnaphthalen-2-yl]anthracene-9,10-dione?
The InChIKey is BVCDLJHJPQQEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H54O2Si.C33H34O2Si.C11H9Br.C4H8O/c1-34(2)58(35(3)4,36(5)6)43-27-25-39-23-24-40(31-42(39)32-43)41-26-30-52-53(33-41)55(57,49-29-22-38(8)45-16-10-12-18-47(45)49)51-20-14-13-19-50(51)54(52,56)48-28-21-37(7)44-15-9-11-17-46(44)48;1-20(2)36(21(3)4,22(5)6)27-15-13-23-11-12-24(17-26(23)18-27)25-14-16-30-31(19-25)33(35)29-10-8-7-9-28(29)32(30)34;1-8-6-7-11(12)10-5-3-2-4-9(8)10;1-2-4-5-3-1/h9-36,56-57H,1-8H3;7-22H,1-6H3;2-7H,1H3;1-4H2.
What are the key properties of 9,10-bis(4-methylnaphthalen-1-yl)-2-[7-tri(propan-2-yl)silylnaphthalen-2-yl]anthracene-9,10-diol;1-bromo-4-methylnaphthalene;oxolane;2-[7-tri(propan-2-yl)silylnaphthalen-2-yl]anthracene-9,10-dione?
9,10-bis(4-methylnaphthalen-1-yl)-2-[7-tri(propan-2-yl)silylnaphthalen-2-yl]anthracene-9,10-diol;1-bromo-4-methylnaphthalene;oxolane;2-[7-tri(propan-2-yl)silylnaphthalen-2-yl]anthracene-9,10-dione has a molecular weight of 1559.04 g/mol, XLogP of 26.07, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis(4-methylnaphthalen-1-yl)-2-[7-tri(propan-2-yl)silylnaphthalen-2-yl]anthracene-9,10-diol;1-bromo-4-methylnaphthalene;oxolane;2-[7-tri(propan-2-yl)silylnaphthalen-2-yl]anthracene-9,10-dione is sourced from PubChem (CID 157471558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).