2,3,4-trideuterio-1-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran

C36H22O — CID 157221480

IUPAC2,3,4-trideuterio-1-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
SMILES[2H]c1c([2H])c(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)c2c(oc3ccccc32)c1[2H]
InChIInChI=1S/C36H22O/c1-2-13-24-23(11-1)12-9-19-25(24)34-26-14-3-5-16-28(26)35(29-17-6-4-15-27(29)34)31-20-10-22-33-36(31)30-18-7-8-21-32(30)37-33/h1-22H/i10D,20D,22D
InChIKeyWGBJTHAGGCLSGQ-BMFUCJBUSA-N
MW473.59 g/mol
LogP10.38
Rot. Bonds2

About 2,3,4-trideuterio-1-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran

2,3,4-trideuterio-1-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran (PubChem CID 157221480) has the molecular formula C36H22O and a molecular weight of 473.59 g/mol. Its IUPAC name is 2,3,4-trideuterio-1-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran.

Molecular Properties

Compound Name2,3,4-trideuterio-1-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
PubChem CID157221480
Molecular FormulaC36H22O
Molecular Weight473.59 g/mol
Exact Mass473.19
IUPAC Name2,3,4-trideuterio-1-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
SMILES[2H]c1c([2H])c(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)c2c(oc3ccccc32)c1[2H]
InChIInChI=1S/C36H22O/c1-2-13-24-23(11-1)12-9-19-25(24)34-26-14-3-5-16-28(26)35(29-17-6-4-15-27(29)34)31-20-10-22-33-36(31)30-18-7-8-21-32(30)37-33/h1-22H/i10D,20D,22D
InChIKeyWGBJTHAGGCLSGQ-BMFUCJBUSA-N
XLogP10.38
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.59
LogP ≤ 510.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,4,6,7,8-heptadeuterio-9-(2,3,6,7-tetradeuterio-10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 167405512
1,2,3,4,6,7,8-heptadeuterio-9-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran
CID 167406585
2,3,4,6,7,8,9,10,11-nonadeuterio-1-[3-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphtho[2,3-b][1]benzofuran
CID 166501619
1-[10-[7-[8-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-yl]anthracen-9-yl]dibenzofuran
CID 170448028
2,3,4,6,7,8-hexadeuterio-1-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran
CID 167407350
1-[10-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]anthracen-9-yl]dibenzofuran
CID 170662723
1,3,4,6,7,8-hexadeuterio-2-naphthalen-1-yl-9-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracen-9-yl]dibenzofuran
CID 166587647
4-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 153436636
11-(10-naphthalen-1-yl-8-naphtho[3,2-b][1]benzofuran-11-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran
CID 155334130
1-[10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 170653606
1-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 122415544
9-[2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]-10-naphthalen-1-ylanthracene
CID 167407356

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trideuterio-1-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran?
The IUPAC name of 2,3,4-trideuterio-1-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran (CID 157221480) is 2,3,4-trideuterio-1-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran.
What is the SMILES notation for 2,3,4-trideuterio-1-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran?
The canonical SMILES for 2,3,4-trideuterio-1-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran is [2H]c1c([2H])c(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)c2c(oc3ccccc32)c1[2H].
What is the InChIKey of 2,3,4-trideuterio-1-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran?
The InChIKey is WGBJTHAGGCLSGQ-BMFUCJBUSA-N. The full InChI is InChI=1S/C36H22O/c1-2-13-24-23(11-1)12-9-19-25(24)34-26-14-3-5-16-28(26)35(29-17-6-4-15-27(29)34)31-20-10-22-33-36(31)30-18-7-8-21-32(30)37-33/h1-22H/i10D,20D,22D.
What are the key properties of 2,3,4-trideuterio-1-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran?
2,3,4-trideuterio-1-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran has a molecular weight of 473.59 g/mol, XLogP of 10.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trideuterio-1-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran is sourced from PubChem (CID 157221480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).