1,2,3,4,5-pentadeuterio-6-trimethylsilylbenzo[c]fluoren-7-one

C20H18OSi — CID 11023217

IUPAC1,2,3,4,5-pentadeuterio-6-trimethylsilylbenzo[c]fluoren-7-one
SMILES[2H]c1c([2H])c([2H])c2c3c(c([Si](C)(C)C)c([2H])c2c1[2H])C(=O)c1ccccc1-3
InChIInChI=1S/C20H18OSi/c1-22(2,3)17-12-13-8-4-5-9-14(13)18-15-10-6-7-11-16(15)20(21)19(17)18/h4-12H,1-3H3/i4D,5D,8D,9D,12D
InChIKeyYKSJWDYGHMSDNE-CXJUJRHCSA-N
MW307.48 g/mol
LogP4.60
Rot. Bonds1

About 1,2,3,4,5-pentadeuterio-6-trimethylsilylbenzo[c]fluoren-7-one

1,2,3,4,5-pentadeuterio-6-trimethylsilylbenzo[c]fluoren-7-one (PubChem CID 11023217) has the molecular formula C20H18OSi and a molecular weight of 307.48 g/mol. Its IUPAC name is 1,2,3,4,5-pentadeuterio-6-trimethylsilylbenzo[c]fluoren-7-one.

Molecular Properties

Compound Name1,2,3,4,5-pentadeuterio-6-trimethylsilylbenzo[c]fluoren-7-one
PubChem CID11023217
Molecular FormulaC20H18OSi
Molecular Weight307.48 g/mol
Exact Mass307.14
IUPAC Name1,2,3,4,5-pentadeuterio-6-trimethylsilylbenzo[c]fluoren-7-one
SMILES[2H]c1c([2H])c([2H])c2c3c(c([Si](C)(C)C)c([2H])c2c1[2H])C(=O)c1ccccc1-3
InChIInChI=1S/C20H18OSi/c1-22(2,3)17-12-13-8-4-5-9-14(13)18-15-10-6-7-11-16(15)20(21)19(17)18/h4-12H,1-3H3/i4D,5D,8D,9D,12D
InChIKeyYKSJWDYGHMSDNE-CXJUJRHCSA-N
XLogP4.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,4,5,6,7,8,9-nonadeuterio-10-phenylanthracene
CID 153473515
6-triethylsilylbenzo[c]fluoren-7-one
CID 11484728
[2-[3-[3-[4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-trimethylsilane
CID 176645479
1,2,3,4,5,6,8,9,10,11,12-undecadeuterio-7-[2-[3-(1,2,3,4,5,6,8,9,10,11,12-undecadeuteriobenzo[a]anthracen-7-yl)phenyl]phenyl]benzo[a]anthracene
CID 177072005
8,9,10,11-tetradeuteriobenzo[a]anthracene-7,12-dione
CID 169434082
1,3,4,6,7,8,9,10,11-nonadeuterio-2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 153473565
6,11-dioxotetracene-5,12-diolate
CID 102258482
1,2,3,4,5,6,7,8-octadeuterio-9-naphthalen-1-yl-10-(2-naphthalen-1-ylphenyl)anthracene
CID 167405368
1,2,3,4,5,6,7,8,9-nonadeuterio-10-phenanthren-3-ylanthracene
CID 155650649
6-chloro-3-methylindeno[2,1-c]quinolin-7-one
CID 19356118
1,2,3,4,6,8,9-heptadeuterio-7-[2,4,5,6,7,8-hexadeuterio-3-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 166587485
(2E,4E,6Z)-5-methoxy-2-trimethylsilyltricyclo[8.7.0.011,16]heptadeca-1(10),2,4,6,11,13,15-heptaen-8-yn-17-one
CID 42618311

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentadeuterio-6-trimethylsilylbenzo[c]fluoren-7-one?
The IUPAC name of 1,2,3,4,5-pentadeuterio-6-trimethylsilylbenzo[c]fluoren-7-one (CID 11023217) is 1,2,3,4,5-pentadeuterio-6-trimethylsilylbenzo[c]fluoren-7-one.
What is the SMILES notation for 1,2,3,4,5-pentadeuterio-6-trimethylsilylbenzo[c]fluoren-7-one?
The canonical SMILES for 1,2,3,4,5-pentadeuterio-6-trimethylsilylbenzo[c]fluoren-7-one is [2H]c1c([2H])c([2H])c2c3c(c([Si](C)(C)C)c([2H])c2c1[2H])C(=O)c1ccccc1-3.
What is the InChIKey of 1,2,3,4,5-pentadeuterio-6-trimethylsilylbenzo[c]fluoren-7-one?
The InChIKey is YKSJWDYGHMSDNE-CXJUJRHCSA-N. The full InChI is InChI=1S/C20H18OSi/c1-22(2,3)17-12-13-8-4-5-9-14(13)18-15-10-6-7-11-16(15)20(21)19(17)18/h4-12H,1-3H3/i4D,5D,8D,9D,12D.
What are the key properties of 1,2,3,4,5-pentadeuterio-6-trimethylsilylbenzo[c]fluoren-7-one?
1,2,3,4,5-pentadeuterio-6-trimethylsilylbenzo[c]fluoren-7-one has a molecular weight of 307.48 g/mol, XLogP of 4.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentadeuterio-6-trimethylsilylbenzo[c]fluoren-7-one is sourced from PubChem (CID 11023217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).