4-phenyl-1-(1,2,3,4-tetradeuterio-8,10-diphenylanthracen-9-yl)dibenzofuran

C44H28O — CID 165169672

IUPAC4-phenyl-1-(1,2,3,4-tetradeuterio-8,10-diphenylanthracen-9-yl)dibenzofuran
SMILES[2H]c1c([2H])c([2H])c2c(-c3ccc(-c4ccccc4)c4oc5ccccc5c34)c3c(-c4ccccc4)cccc3c(-c3ccccc3)c2c1[2H]
InChIInChI=1S/C44H28O/c1-4-15-29(16-5-1)32-24-14-25-37-40(31-19-8-3-9-20-31)34-21-10-11-22-35(34)42(41(32)37)38-28-27-33(30-17-6-2-7-18-30)44-43(38)36-23-12-13-26-39(36)45-44/h1-28H/i10D,11D,21D,22D
InChIKeyIZVADZBTMGCROF-CCDNFZCISA-N
MW576.73 g/mol
LogP12.56
Rot. Bonds4

About 4-phenyl-1-(1,2,3,4-tetradeuterio-8,10-diphenylanthracen-9-yl)dibenzofuran

4-phenyl-1-(1,2,3,4-tetradeuterio-8,10-diphenylanthracen-9-yl)dibenzofuran (PubChem CID 165169672) has the molecular formula C44H28O and a molecular weight of 576.73 g/mol. Its IUPAC name is 4-phenyl-1-(1,2,3,4-tetradeuterio-8,10-diphenylanthracen-9-yl)dibenzofuran.

Molecular Properties

Compound Name4-phenyl-1-(1,2,3,4-tetradeuterio-8,10-diphenylanthracen-9-yl)dibenzofuran
PubChem CID165169672
Molecular FormulaC44H28O
Molecular Weight576.73 g/mol
Exact Mass576.24
IUPAC Name4-phenyl-1-(1,2,3,4-tetradeuterio-8,10-diphenylanthracen-9-yl)dibenzofuran
SMILES[2H]c1c([2H])c([2H])c2c(-c3ccc(-c4ccccc4)c4oc5ccccc5c34)c3c(-c4ccccc4)cccc3c(-c3ccccc3)c2c1[2H]
InChIInChI=1S/C44H28O/c1-4-15-29(16-5-1)32-24-14-25-37-40(31-19-8-3-9-20-31)34-21-10-11-22-35(34)42(41(32)37)38-28-27-33(30-17-6-2-7-18-30)44-43(38)36-23-12-13-26-39(36)45-44/h1-28H/i10D,11D,21D,22D
InChIKeyIZVADZBTMGCROF-CCDNFZCISA-N
XLogP12.56
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.73
LogP ≤ 512.56
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-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 153474897
1-[1,2,3,4,5,6,7,8-octadeuterio-10-[4-(4-deuteriophenyl)phenyl]anthracen-9-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran
CID 171420638
1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,4,5-tetradeuterio-6-(4-deuteriophenyl)phenyl]anthracen-9-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran
CID 171420742
1-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-2-(2-phenylphenyl)dibenzofuran
CID 165169779
4-(9,9-dimethylfluoren-2-yl)-1-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)dibenzofuran
CID 165169770
1-[4-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]-2-phenyldibenzofuran;1-[2,3,5,6-tetradeuterio-4-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 167659493
1-[10-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)anthracen-9-yl]-4-phenyldibenzofuran
CID 170662331
1,2,3,4-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)dibenzofuran
CID 176786272
1,2,3,4,6-pentadeuterio-5-phenyl-7-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
CID 170653837
1,2,3,4-tetradeuterio-8-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 176841146
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
2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-6-phenyldibenzofuran
CID 165169832

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-(1,2,3,4-tetradeuterio-8,10-diphenylanthracen-9-yl)dibenzofuran?
The IUPAC name of 4-phenyl-1-(1,2,3,4-tetradeuterio-8,10-diphenylanthracen-9-yl)dibenzofuran (CID 165169672) is 4-phenyl-1-(1,2,3,4-tetradeuterio-8,10-diphenylanthracen-9-yl)dibenzofuran.
What is the SMILES notation for 4-phenyl-1-(1,2,3,4-tetradeuterio-8,10-diphenylanthracen-9-yl)dibenzofuran?
The canonical SMILES for 4-phenyl-1-(1,2,3,4-tetradeuterio-8,10-diphenylanthracen-9-yl)dibenzofuran is [2H]c1c([2H])c([2H])c2c(-c3ccc(-c4ccccc4)c4oc5ccccc5c34)c3c(-c4ccccc4)cccc3c(-c3ccccc3)c2c1[2H].
What is the InChIKey of 4-phenyl-1-(1,2,3,4-tetradeuterio-8,10-diphenylanthracen-9-yl)dibenzofuran?
The InChIKey is IZVADZBTMGCROF-CCDNFZCISA-N. The full InChI is InChI=1S/C44H28O/c1-4-15-29(16-5-1)32-24-14-25-37-40(31-19-8-3-9-20-31)34-21-10-11-22-35(34)42(41(32)37)38-28-27-33(30-17-6-2-7-18-30)44-43(38)36-23-12-13-26-39(36)45-44/h1-28H/i10D,11D,21D,22D.
What are the key properties of 4-phenyl-1-(1,2,3,4-tetradeuterio-8,10-diphenylanthracen-9-yl)dibenzofuran?
4-phenyl-1-(1,2,3,4-tetradeuterio-8,10-diphenylanthracen-9-yl)dibenzofuran has a molecular weight of 576.73 g/mol, XLogP of 12.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-(1,2,3,4-tetradeuterio-8,10-diphenylanthracen-9-yl)dibenzofuran is sourced from PubChem (CID 165169672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).