2-[7-fluoro-6-(1,1,3,3-tetradeuterio-2,2-dimethylcyclopenta[b]naphthalen-6-yl)dibenzofuran-4-yl]pyridine

C32H24FNO — CID 166051431

IUPAC2-[7-fluoro-6-(1,1,3,3-tetradeuterio-2,2-dimethylcyclopenta[b]naphthalen-6-yl)dibenzofuran-4-yl]pyridine
SMILES[2H]C1([2H])c2cc3ccc(-c4c(F)ccc5c4oc4c(-c6ccccn6)cccc45)cc3cc2C([2H])([2H])C1(C)C
InChIInChI=1S/C32H24FNO/c1-32(2)17-22-14-19-9-10-20(15-21(19)16-23(22)18-32)29-27(33)12-11-25-24-6-5-7-26(30(24)35-31(25)29)28-8-3-4-13-34-28/h3-16H,17-18H2,1-2H3/i17D2,18D2
InChIKeyNSFGUVCETBPSIZ-DBTGQBASSA-N
MW461.57 g/mol
LogP8.73
Rot. Bonds2

About 2-[7-fluoro-6-(1,1,3,3-tetradeuterio-2,2-dimethylcyclopenta[b]naphthalen-6-yl)dibenzofuran-4-yl]pyridine

2-[7-fluoro-6-(1,1,3,3-tetradeuterio-2,2-dimethylcyclopenta[b]naphthalen-6-yl)dibenzofuran-4-yl]pyridine (PubChem CID 166051431) has the molecular formula C32H24FNO and a molecular weight of 461.57 g/mol. Its IUPAC name is 2-[7-fluoro-6-(1,1,3,3-tetradeuterio-2,2-dimethylcyclopenta[b]naphthalen-6-yl)dibenzofuran-4-yl]pyridine.

Molecular Properties

Compound Name2-[7-fluoro-6-(1,1,3,3-tetradeuterio-2,2-dimethylcyclopenta[b]naphthalen-6-yl)dibenzofuran-4-yl]pyridine
PubChem CID166051431
Molecular FormulaC32H24FNO
Molecular Weight461.57 g/mol
Exact Mass461.21
IUPAC Name2-[7-fluoro-6-(1,1,3,3-tetradeuterio-2,2-dimethylcyclopenta[b]naphthalen-6-yl)dibenzofuran-4-yl]pyridine
SMILES[2H]C1([2H])c2cc3ccc(-c4c(F)ccc5c4oc4c(-c6ccccn6)cccc45)cc3cc2C([2H])([2H])C1(C)C
InChIInChI=1S/C32H24FNO/c1-32(2)17-22-14-19-9-10-20(15-21(19)16-23(22)18-32)29-27(33)12-11-25-24-6-5-7-26(30(24)35-31(25)29)28-8-3-4-13-34-28/h3-16H,17-18H2,1-2H3/i17D2,18D2
InChIKeyNSFGUVCETBPSIZ-DBTGQBASSA-N
XLogP8.73
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.57
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[7-fluoro-6-(1,1,3,3-tetradeuterio-2,2-dimethylcyclopenta[b]naphthalen-6-yl)dibenzofuran-4-yl]pyridine with MolForge

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Launch Full Analysis

Related Compounds

2-[7-fluoro-6-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]pyridine
CID 165385994
4-phenanthren-2-yl-6-pyridin-2-yldibenzofuran-3-carbonitrile
CID 169077042
2-[7-fluoro-3-methyl-6-(1,1,3,3-tetradeuterio-2,2-dimethylinden-5-yl)dibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 166051886
3-methyl-10-pyridin-2-yl-[1]benzofuro[3,2-h]isoquinoline
CID 172522612
5-tert-butyl-4-fluoro-2-[7-fluoro-6-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]pyridine
CID 170152904
4-(4,4-dimethyl-2,3-dihydrochromen-7-yl)-6-pyridin-2-yldibenzofuran-3-carbonitrile
CID 167209349
4-fluoro-2-[7-fluoro-3-methyl-6-(1,1,3,3-tetradeuterio-2,2-dimethylinden-5-yl)dibenzofuran-4-yl]-1-methyl-5-(trideuteriomethyl)pyridin-1-ium
CID 166052110
2-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine
CID 88552190
6-(7-fluoro-3-methyl-6-naphthalen-2-yldibenzofuran-4-yl)-1-methylpyrimidin-1-ium
CID 164849742
4-(3-cyanophenyl)-6-pyridin-2-yldibenzofuran-3-carbonitrile
CID 166043478
2-[3-fluoro-2-(4-methoxyphenyl)phenyl]pyridine
CID 102052636
10-pyridin-2-yl-4-(trideuteriomethyl)-[1]benzofuro[2,3-f]isoquinoline
CID 172522593

Frequently Asked Questions

What is the IUPAC name of 2-[7-fluoro-6-(1,1,3,3-tetradeuterio-2,2-dimethylcyclopenta[b]naphthalen-6-yl)dibenzofuran-4-yl]pyridine?
The IUPAC name of 2-[7-fluoro-6-(1,1,3,3-tetradeuterio-2,2-dimethylcyclopenta[b]naphthalen-6-yl)dibenzofuran-4-yl]pyridine (CID 166051431) is 2-[7-fluoro-6-(1,1,3,3-tetradeuterio-2,2-dimethylcyclopenta[b]naphthalen-6-yl)dibenzofuran-4-yl]pyridine.
What is the SMILES notation for 2-[7-fluoro-6-(1,1,3,3-tetradeuterio-2,2-dimethylcyclopenta[b]naphthalen-6-yl)dibenzofuran-4-yl]pyridine?
The canonical SMILES for 2-[7-fluoro-6-(1,1,3,3-tetradeuterio-2,2-dimethylcyclopenta[b]naphthalen-6-yl)dibenzofuran-4-yl]pyridine is [2H]C1([2H])c2cc3ccc(-c4c(F)ccc5c4oc4c(-c6ccccn6)cccc45)cc3cc2C([2H])([2H])C1(C)C.
What is the InChIKey of 2-[7-fluoro-6-(1,1,3,3-tetradeuterio-2,2-dimethylcyclopenta[b]naphthalen-6-yl)dibenzofuran-4-yl]pyridine?
The InChIKey is NSFGUVCETBPSIZ-DBTGQBASSA-N. The full InChI is InChI=1S/C32H24FNO/c1-32(2)17-22-14-19-9-10-20(15-21(19)16-23(22)18-32)29-27(33)12-11-25-24-6-5-7-26(30(24)35-31(25)29)28-8-3-4-13-34-28/h3-16H,17-18H2,1-2H3/i17D2,18D2.
What are the key properties of 2-[7-fluoro-6-(1,1,3,3-tetradeuterio-2,2-dimethylcyclopenta[b]naphthalen-6-yl)dibenzofuran-4-yl]pyridine?
2-[7-fluoro-6-(1,1,3,3-tetradeuterio-2,2-dimethylcyclopenta[b]naphthalen-6-yl)dibenzofuran-4-yl]pyridine has a molecular weight of 461.57 g/mol, XLogP of 8.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-fluoro-6-(1,1,3,3-tetradeuterio-2,2-dimethylcyclopenta[b]naphthalen-6-yl)dibenzofuran-4-yl]pyridine is sourced from PubChem (CID 166051431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).