(4-anthracen-9-ylphenyl)-[(4-anthracen-9-ylphenyl)-dimethylsilyl]oxy-dimethylsilane;9-(4-bromophenyl)anthracene

C64H51BrOSi2 — CID 157484075

IUPAC(4-anthracen-9-ylphenyl)-[(4-anthracen-9-ylphenyl)-dimethylsilyl]oxy-dimethylsilane;9-(4-bromophenyl)anthracene
SMILESBrc1ccc(-c2c3ccccc3cc3ccccc23)cc1.C[Si](C)(O[Si](C)(C)c1ccc(-c2c3ccccc3cc3ccccc23)cc1)c1ccc(-c2c3ccccc3cc3ccccc23)cc1
InChIInChI=1S/C44H38OSi2.C20H13Br/c1-46(2,37-25-21-31(22-26-37)43-39-17-9-5-13-33(39)29-34-14-6-10-18-40(34)43)45-47(3,4)38-27-23-32(24-28-38)44-41-19-11-7-15-35(41)30-36-16-8-12-20-42(36)44;21-17-11-9-14(10-12-17)20-18-7-3-1-5-15(18)13-16-6-2-4-8-19(16)20/h5-30H,1-4H3;1-13H
InChIKeyBWMQTQPKRZTOSO-UHFFFAOYSA-N
MW972.19 g/mol
LogP17.60
Rot. Bonds7

About (4-anthracen-9-ylphenyl)-[(4-anthracen-9-ylphenyl)-dimethylsilyl]oxy-dimethylsilane;9-(4-bromophenyl)anthracene

(4-anthracen-9-ylphenyl)-[(4-anthracen-9-ylphenyl)-dimethylsilyl]oxy-dimethylsilane;9-(4-bromophenyl)anthracene (PubChem CID 157484075) has the molecular formula C64H51BrOSi2 and a molecular weight of 972.19 g/mol. Its IUPAC name is (4-anthracen-9-ylphenyl)-[(4-anthracen-9-ylphenyl)-dimethylsilyl]oxy-dimethylsilane;9-(4-bromophenyl)anthracene.

Molecular Properties

Compound Name(4-anthracen-9-ylphenyl)-[(4-anthracen-9-ylphenyl)-dimethylsilyl]oxy-dimethylsilane;9-(4-bromophenyl)anthracene
PubChem CID157484075
Molecular FormulaC64H51BrOSi2
Molecular Weight972.19 g/mol
Exact Mass970.27
IUPAC Name(4-anthracen-9-ylphenyl)-[(4-anthracen-9-ylphenyl)-dimethylsilyl]oxy-dimethylsilane;9-(4-bromophenyl)anthracene
SMILESBrc1ccc(-c2c3ccccc3cc3ccccc23)cc1.C[Si](C)(O[Si](C)(C)c1ccc(-c2c3ccccc3cc3ccccc23)cc1)c1ccc(-c2c3ccccc3cc3ccccc23)cc1
InChIInChI=1S/C44H38OSi2.C20H13Br/c1-46(2,37-25-21-31(22-26-37)43-39-17-9-5-13-33(39)29-34-14-6-10-18-40(34)43)45-47(3,4)38-27-23-32(24-28-38)44-41-19-11-7-15-35(41)30-36-16-8-12-20-42(36)44;21-17-11-9-14(10-12-17)20-18-7-3-1-5-15(18)13-16-6-2-4-8-19(16)20/h5-30H,1-4H3;1-13H
InChIKeyBWMQTQPKRZTOSO-UHFFFAOYSA-N
XLogP17.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500972.19
LogP ≤ 517.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-[4-(4-anthracen-9-ylphenyl)phenyl]-10-bromoanthracene
CID 58321112
9-(4-bromophenyl)-10-methoxyanthracene
CID 178067918
2-(4-anthracen-9-ylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 156612748
[4-[10-[3,5-bis[10-(4-trimethylsilylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-trimethylsilane
CID 58722457
2-(4-bromophenyl)-3-methylnaphthalene-1-carboxylic acid
CID 174888275
3-(4-bromophenyl)-1-methylisoquinoline
CID 141395561
9-bromo-10-naphthalen-2-ylanthracene;9-(4-bromophenyl)-10-naphthalen-2-ylanthracene;9-naphthalen-2-ylanthracene;(10-naphthalen-2-ylanthracen-9-yl)boronic acid
CID 159162204
9-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene
CID 86701353
2-(4-anthracen-9-ylphenyl)triphenylene
CID 165006597
dimethyl-naphthalen-2-yl-[4-(10-phenylanthracen-9-yl)phenyl]silane
CID 123472520
N,N,4-tris(4-anthracen-9-ylphenyl)aniline
CID 58383816
4-(4-anthracen-9-ylphenyl)-N,N-bis[4-(4-anthracen-9-ylphenyl)phenyl]aniline
CID 58383851

Frequently Asked Questions

What is the IUPAC name of (4-anthracen-9-ylphenyl)-[(4-anthracen-9-ylphenyl)-dimethylsilyl]oxy-dimethylsilane;9-(4-bromophenyl)anthracene?
The IUPAC name of (4-anthracen-9-ylphenyl)-[(4-anthracen-9-ylphenyl)-dimethylsilyl]oxy-dimethylsilane;9-(4-bromophenyl)anthracene (CID 157484075) is (4-anthracen-9-ylphenyl)-[(4-anthracen-9-ylphenyl)-dimethylsilyl]oxy-dimethylsilane;9-(4-bromophenyl)anthracene.
What is the SMILES notation for (4-anthracen-9-ylphenyl)-[(4-anthracen-9-ylphenyl)-dimethylsilyl]oxy-dimethylsilane;9-(4-bromophenyl)anthracene?
The canonical SMILES for (4-anthracen-9-ylphenyl)-[(4-anthracen-9-ylphenyl)-dimethylsilyl]oxy-dimethylsilane;9-(4-bromophenyl)anthracene is Brc1ccc(-c2c3ccccc3cc3ccccc23)cc1.C[Si](C)(O[Si](C)(C)c1ccc(-c2c3ccccc3cc3ccccc23)cc1)c1ccc(-c2c3ccccc3cc3ccccc23)cc1.
What is the InChIKey of (4-anthracen-9-ylphenyl)-[(4-anthracen-9-ylphenyl)-dimethylsilyl]oxy-dimethylsilane;9-(4-bromophenyl)anthracene?
The InChIKey is BWMQTQPKRZTOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H38OSi2.C20H13Br/c1-46(2,37-25-21-31(22-26-37)43-39-17-9-5-13-33(39)29-34-14-6-10-18-40(34)43)45-47(3,4)38-27-23-32(24-28-38)44-41-19-11-7-15-35(41)30-36-16-8-12-20-42(36)44;21-17-11-9-14(10-12-17)20-18-7-3-1-5-15(18)13-16-6-2-4-8-19(16)20/h5-30H,1-4H3;1-13H.
What are the key properties of (4-anthracen-9-ylphenyl)-[(4-anthracen-9-ylphenyl)-dimethylsilyl]oxy-dimethylsilane;9-(4-bromophenyl)anthracene?
(4-anthracen-9-ylphenyl)-[(4-anthracen-9-ylphenyl)-dimethylsilyl]oxy-dimethylsilane;9-(4-bromophenyl)anthracene has a molecular weight of 972.19 g/mol, XLogP of 17.60, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-anthracen-9-ylphenyl)-[(4-anthracen-9-ylphenyl)-dimethylsilyl]oxy-dimethylsilane;9-(4-bromophenyl)anthracene is sourced from PubChem (CID 157484075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).