1,2,3,4,5,6,8,9-octadeuterionaphtho[1,2-b][1]benzofuran

C16H10O — CID 171430948

IUPAC1,2,3,4,5,6,8,9-octadeuterionaphtho[1,2-b][1]benzofuran
SMILES[2H]c1cc2oc3c4c([2H])c([2H])c([2H])c([2H])c4c([2H])c([2H])c3c2cc1[2H]
InChIInChI=1S/C16H10O/c1-2-6-12-11(5-1)9-10-14-13-7-3-4-8-15(13)17-16(12)14/h1-10H/i1D,2D,3D,4D,5D,6D,9D,10D
InChIKeyBCBSVZISIWCHFM-VCEPUTDNSA-N
MW226.30 g/mol
LogP4.74
Rot. Bonds

About 1,2,3,4,5,6,8,9-octadeuterionaphtho[1,2-b][1]benzofuran

1,2,3,4,5,6,8,9-octadeuterionaphtho[1,2-b][1]benzofuran (PubChem CID 171430948) has the molecular formula C16H10O and a molecular weight of 226.30 g/mol. Its IUPAC name is 1,2,3,4,5,6,8,9-octadeuterionaphtho[1,2-b][1]benzofuran.

Molecular Properties

Compound Name1,2,3,4,5,6,8,9-octadeuterionaphtho[1,2-b][1]benzofuran
PubChem CID171430948
Molecular FormulaC16H10O
Molecular Weight226.30 g/mol
Exact Mass226.12
IUPAC Name1,2,3,4,5,6,8,9-octadeuterionaphtho[1,2-b][1]benzofuran
SMILES[2H]c1cc2oc3c4c([2H])c([2H])c([2H])c([2H])c4c([2H])c([2H])c3c2cc1[2H]
InChIInChI=1S/C16H10O/c1-2-6-12-11(5-1)9-10-14-13-7-3-4-8-15(13)17-16(12)14/h1-10H/i1D,2D,3D,4D,5D,6D,9D,10D
InChIKeyBCBSVZISIWCHFM-VCEPUTDNSA-N
XLogP4.74
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8-bromo-1,2,3,4,5,6-hexadeuterionaphtho[1,2-b][1]benzofuran
CID 170653323
2-(1,2,3,4,5,6-hexadeuterionaphtho[1,2-b][1]benzofuran-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 176840804
1,2,3,4,5,6-hexadeuterio-8-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
CID 170653826
1,2,3,4,6,7,8-heptadeuteriodibenzofuran
CID 90996406
2-(1,2,3,4,5,6-hexadeuterionaphtho[1,2-b][1]benzofuran-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 176840974
1,2,3,4,5,6,7,9,10-nonadeuterio-8-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,2,3,5,6,7,8,9,10-nonadeuteriophenanthren-4-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 153473905
1,2,3,4,5,6,7,9,10-nonadeuterio-8-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 153473777
2-(1,2,3,4,5,6,7,8,10-nonadeuterionaphtho[1,2-b][1]benzofuran-9-yl)-4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 171430791
1,2,3,4,5,6,8,9,10-nonadeuterio-7-[3,4,5,6,7,8-hexadeuterio-2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]naphtho[1,2-b][1]benzofuran
CID 166501616
1,2,3,4,5,6,7,9,10-nonadeuterio-8-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,6-trideuterio-4,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 153474019
1,2,3,4,5,6,7,9,10-nonadeuterio-8-[10-(2,3,4,5-tetradeuterio-6-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 170662386
2-[3-(1,2,3,4,5,6,7,9,10-nonadeuterionaphtho[1,2-b][1]benzofuran-8-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 168730539

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,8,9-octadeuterionaphtho[1,2-b][1]benzofuran?
The IUPAC name of 1,2,3,4,5,6,8,9-octadeuterionaphtho[1,2-b][1]benzofuran (CID 171430948) is 1,2,3,4,5,6,8,9-octadeuterionaphtho[1,2-b][1]benzofuran.
What is the SMILES notation for 1,2,3,4,5,6,8,9-octadeuterionaphtho[1,2-b][1]benzofuran?
The canonical SMILES for 1,2,3,4,5,6,8,9-octadeuterionaphtho[1,2-b][1]benzofuran is [2H]c1cc2oc3c4c([2H])c([2H])c([2H])c([2H])c4c([2H])c([2H])c3c2cc1[2H].
What is the InChIKey of 1,2,3,4,5,6,8,9-octadeuterionaphtho[1,2-b][1]benzofuran?
The InChIKey is BCBSVZISIWCHFM-VCEPUTDNSA-N. The full InChI is InChI=1S/C16H10O/c1-2-6-12-11(5-1)9-10-14-13-7-3-4-8-15(13)17-16(12)14/h1-10H/i1D,2D,3D,4D,5D,6D,9D,10D.
What are the key properties of 1,2,3,4,5,6,8,9-octadeuterionaphtho[1,2-b][1]benzofuran?
1,2,3,4,5,6,8,9-octadeuterionaphtho[1,2-b][1]benzofuran has a molecular weight of 226.30 g/mol, XLogP of 4.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,8,9-octadeuterionaphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 171430948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).