1,2,3,4,5,6,8-heptadeuterio-7,9,9-trimethylfluorene

C16H16 — CID 155619986

IUPAC1,2,3,4,5,6,8-heptadeuterio-7,9,9-trimethylfluorene
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])-c1c([2H])c([2H])c(C)c([2H])c1C2(C)C
InChIInChI=1S/C16H16/c1-11-8-9-13-12-6-4-5-7-14(12)16(2,3)15(13)10-11/h4-10H,1-3H3/i4D,5D,6D,7D,8D,9D,10D
InChIKeyDXSIFZLOUITCRR-TWBNAIBBSA-N
MW215.35 g/mol
LogP4.30
Rot. Bonds

About 1,2,3,4,5,6,8-heptadeuterio-7,9,9-trimethylfluorene

1,2,3,4,5,6,8-heptadeuterio-7,9,9-trimethylfluorene (PubChem CID 155619986) has the molecular formula C16H16 and a molecular weight of 215.35 g/mol. Its IUPAC name is 1,2,3,4,5,6,8-heptadeuterio-7,9,9-trimethylfluorene.

Molecular Properties

Compound Name1,2,3,4,5,6,8-heptadeuterio-7,9,9-trimethylfluorene
PubChem CID155619986
Molecular FormulaC16H16
Molecular Weight215.35 g/mol
Exact Mass215.17
IUPAC Name1,2,3,4,5,6,8-heptadeuterio-7,9,9-trimethylfluorene
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])-c1c([2H])c([2H])c(C)c([2H])c1C2(C)C
InChIInChI=1S/C16H16/c1-11-8-9-13-12-6-4-5-7-14(12)16(2,3)15(13)10-11/h4-10H,1-3H3/i4D,5D,6D,7D,8D,9D,10D
InChIKeyDXSIFZLOUITCRR-TWBNAIBBSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.35
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,3,4,5,6,8,9,11-nonadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-2-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 171450962
N-(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;1,1',2',3,3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuterio-N-(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-2-yl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 164949136
1,2-dideuterio-9,9-dimethylfluorene
CID 175772384
1,1',2,2',3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuterio-N-[1,3,4,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-2-yl]-N-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 168750056
1,1',2,3,3',4',5,5',6,6',7,8,8'-tridecadeuterio-N-[1,2,3,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-4-yl]-N-(1,1',2,2',3,3',4',5,6,6',7,7',8,8'-tetradecadeuterio-9,9'-spirobi[fluorene]-4-yl)-2',7'-bis(trideuteriomethyl)-9,9'-spirobi[fluorene]-4-amine
CID 176725692
1-[10-(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-2-yl)anthracen-9-yl]-2-phenylbenzimidazole
CID 169070257
1,2,3,6,8,9-hexadeuterio-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophene
CID 172513428
1-[3-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-2-phenylbenzimidazole
CID 169071482
1,2,3,4,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,2,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-3-yl)anthracen-9-yl]phenyl]dibenzofuran
CID 159302705
1,2,3,4,5,6,8,9,11-nonadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-[1,3,4,5,6,7,8-heptadeuterio-9-methyl-9-(trideuteriomethyl)fluoren-2-yl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 157130704
1,3,4,5,6,8-hexadeuterio-2-N,7-N-bis(2,3,4,5,6-pentadeuteriophenyl)-2-N,7-N-bis[2,3,4,6-tetradeuterio-5-(trideuteriomethyl)phenyl]-9,9-bis(trideuteriomethyl)fluorene-2,7-diamine
CID 102234704
1,2,3,4,5,6,7,9,10-nonadeuterio-8-[2,3,5,6-tetradeuterio-4-[[1,2,3,4,5,6,7,8-octadeuterio-10-[(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-2-yl)methyl]anthracen-9-yl]methyl]phenyl]naphtho[1,2-b][1]benzofuran
CID 171451884

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,8-heptadeuterio-7,9,9-trimethylfluorene?
The IUPAC name of 1,2,3,4,5,6,8-heptadeuterio-7,9,9-trimethylfluorene (CID 155619986) is 1,2,3,4,5,6,8-heptadeuterio-7,9,9-trimethylfluorene.
What is the SMILES notation for 1,2,3,4,5,6,8-heptadeuterio-7,9,9-trimethylfluorene?
The canonical SMILES for 1,2,3,4,5,6,8-heptadeuterio-7,9,9-trimethylfluorene is [2H]c1c([2H])c([2H])c2c(c1[2H])-c1c([2H])c([2H])c(C)c([2H])c1C2(C)C.
What is the InChIKey of 1,2,3,4,5,6,8-heptadeuterio-7,9,9-trimethylfluorene?
The InChIKey is DXSIFZLOUITCRR-TWBNAIBBSA-N. The full InChI is InChI=1S/C16H16/c1-11-8-9-13-12-6-4-5-7-14(12)16(2,3)15(13)10-11/h4-10H,1-3H3/i4D,5D,6D,7D,8D,9D,10D.
What are the key properties of 1,2,3,4,5,6,8-heptadeuterio-7,9,9-trimethylfluorene?
1,2,3,4,5,6,8-heptadeuterio-7,9,9-trimethylfluorene has a molecular weight of 215.35 g/mol, XLogP of 4.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,8-heptadeuterio-7,9,9-trimethylfluorene is sourced from PubChem (CID 155619986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).