1-[10-(6-deuterionaphthalen-2-yl)anthracen-9-yl]dibenzofuran

C36H22O — CID 170653754

IUPAC1-[10-(6-deuterionaphthalen-2-yl)anthracen-9-yl]dibenzofuran
SMILES[2H]c1ccc2cc(-c3c4ccccc4c(-c4cccc5oc6ccccc6c45)c4ccccc34)ccc2c1
InChIInChI=1S/C36H22O/c1-2-11-24-22-25(21-20-23(24)10-1)34-26-12-3-5-14-28(26)35(29-15-6-4-13-27(29)34)31-17-9-19-33-36(31)30-16-7-8-18-32(30)37-33/h1-22H/i1D
InChIKeyXXDHMENZGWJEMZ-MICDWDOJSA-N
MW471.58 g/mol
LogP10.38
Rot. Bonds2

About 1-[10-(6-deuterionaphthalen-2-yl)anthracen-9-yl]dibenzofuran

1-[10-(6-deuterionaphthalen-2-yl)anthracen-9-yl]dibenzofuran (PubChem CID 170653754) has the molecular formula C36H22O and a molecular weight of 471.58 g/mol. Its IUPAC name is 1-[10-(6-deuterionaphthalen-2-yl)anthracen-9-yl]dibenzofuran.

Molecular Properties

Compound Name1-[10-(6-deuterionaphthalen-2-yl)anthracen-9-yl]dibenzofuran
PubChem CID170653754
Molecular FormulaC36H22O
Molecular Weight471.58 g/mol
Exact Mass471.17
IUPAC Name1-[10-(6-deuterionaphthalen-2-yl)anthracen-9-yl]dibenzofuran
SMILES[2H]c1ccc2cc(-c3c4ccccc4c(-c4cccc5oc6ccccc6c45)c4ccccc34)ccc2c1
InChIInChI=1S/C36H22O/c1-2-11-24-22-25(21-20-23(24)10-1)34-26-12-3-5-14-28(26)35(29-15-6-4-13-27(29)34)31-17-9-19-33-36(31)30-16-7-8-18-32(30)37-33/h1-22H/i1D
InChIKeyXXDHMENZGWJEMZ-MICDWDOJSA-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 ≤ 500471.58
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

7-deuterio-1-[10-[2-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]dibenzofuran
CID 171449377
1-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)dibenzofuran
CID 153436512
1-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
CID 176862831
1-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]dibenzofuran
CID 146651916
4-(10-naphthalen-2-ylanthracen-9-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 167187041
1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
CID 118563907
1-[10-[3-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]-7-propan-2-yldibenzofuran
CID 171449473
1-[10-[7-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran
CID 170448220
1-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;1-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran
CID 167615058
1-[1,2,3,4,5,6,7,8-octadeuterio-10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran
CID 153436635
1-[2-[10-[4-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]phenyl]-7-methyldibenzofuran
CID 171449387
4-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]naphtho[2,1-b][1]benzofuran
CID 122415609

Frequently Asked Questions

What is the IUPAC name of 1-[10-(6-deuterionaphthalen-2-yl)anthracen-9-yl]dibenzofuran?
The IUPAC name of 1-[10-(6-deuterionaphthalen-2-yl)anthracen-9-yl]dibenzofuran (CID 170653754) is 1-[10-(6-deuterionaphthalen-2-yl)anthracen-9-yl]dibenzofuran.
What is the SMILES notation for 1-[10-(6-deuterionaphthalen-2-yl)anthracen-9-yl]dibenzofuran?
The canonical SMILES for 1-[10-(6-deuterionaphthalen-2-yl)anthracen-9-yl]dibenzofuran is [2H]c1ccc2cc(-c3c4ccccc4c(-c4cccc5oc6ccccc6c45)c4ccccc34)ccc2c1.
What is the InChIKey of 1-[10-(6-deuterionaphthalen-2-yl)anthracen-9-yl]dibenzofuran?
The InChIKey is XXDHMENZGWJEMZ-MICDWDOJSA-N. The full InChI is InChI=1S/C36H22O/c1-2-11-24-22-25(21-20-23(24)10-1)34-26-12-3-5-14-28(26)35(29-15-6-4-13-27(29)34)31-17-9-19-33-36(31)30-16-7-8-18-32(30)37-33/h1-22H/i1D.
What are the key properties of 1-[10-(6-deuterionaphthalen-2-yl)anthracen-9-yl]dibenzofuran?
1-[10-(6-deuterionaphthalen-2-yl)anthracen-9-yl]dibenzofuran has a molecular weight of 471.58 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 1-[10-(6-deuterionaphthalen-2-yl)anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 170653754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).