7-phenyl-1-[2,3,5,6-tetradeuterio-4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran

C44H28O — CID 167405887

IUPAC7-phenyl-1-[2,3,5,6-tetradeuterio-4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
SMILES[2H]c1c([2H])c(-c2cccc3oc4cc(-c5ccccc5)ccc4c23)c([2H])c([2H])c1-c1c2ccccc2c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C44H28O/c1-3-12-29(13-4-1)33-26-27-39-41(28-33)45-40-21-11-20-34(44(39)40)30-22-24-32(25-23-30)43-37-18-9-7-16-35(37)42(31-14-5-2-6-15-31)36-17-8-10-19-38(36)43/h1-28H/i22D,23D,24D,25D
InChIKeySKBZTEFVQGUSTO-KRVDAMSASA-N
MW576.73 g/mol
LogP12.56
Rot. Bonds4

About 7-phenyl-1-[2,3,5,6-tetradeuterio-4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran

7-phenyl-1-[2,3,5,6-tetradeuterio-4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran (PubChem CID 167405887) has the molecular formula C44H28O and a molecular weight of 576.73 g/mol. Its IUPAC name is 7-phenyl-1-[2,3,5,6-tetradeuterio-4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran.

Molecular Properties

Compound Name7-phenyl-1-[2,3,5,6-tetradeuterio-4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
PubChem CID167405887
Molecular FormulaC44H28O
Molecular Weight576.73 g/mol
Exact Mass576.24
IUPAC Name7-phenyl-1-[2,3,5,6-tetradeuterio-4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
SMILES[2H]c1c([2H])c(-c2cccc3oc4cc(-c5ccccc5)ccc4c23)c([2H])c([2H])c1-c1c2ccccc2c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C44H28O/c1-3-12-29(13-4-1)33-26-27-39-41(28-33)45-40-21-11-20-34(44(39)40)30-22-24-32(25-23-30)43-37-18-9-7-16-35(37)42(31-14-5-2-6-15-31)36-17-8-10-19-38(36)43/h1-28H/i22D,23D,24D,25D
InChIKeySKBZTEFVQGUSTO-KRVDAMSASA-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

7-naphthalen-2-yl-1-[2,3,5,6-tetradeuterio-4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 167407269
7-phenyl-1-[2,3,4,6-tetradeuterio-5-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 167405511
1-[3,4,5,7,8-pentadeuterio-6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-7-phenyldibenzofuran
CID 167405241
1-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran
CID 134471934
1-phenyl-7-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 174167645
7-[10-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]-1-phenyldibenzofuran
CID 170662680
7-phenyl-1-[10-[2,3,4,5-tetradeuterio-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]anthracen-9-yl]dibenzofuran
CID 170664139
1-[10-[3,4-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]-7-phenyldibenzofuran
CID 170662053
1-[7-(2,3,4,5,6-pentadeuteriophenyl)-9,10-diphenylanthracen-2-yl]dibenzofuran
CID 168795926
1-[3-phenyl-10-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 170653803
1-[10-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]anthracen-9-yl]-7-phenyldibenzofuran
CID 170662521
8-naphthalen-1-yl-1-[2,3,5,6-tetradeuterio-4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 167407345

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-1-[2,3,5,6-tetradeuterio-4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran?
The IUPAC name of 7-phenyl-1-[2,3,5,6-tetradeuterio-4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran (CID 167405887) is 7-phenyl-1-[2,3,5,6-tetradeuterio-4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran.
What is the SMILES notation for 7-phenyl-1-[2,3,5,6-tetradeuterio-4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran?
The canonical SMILES for 7-phenyl-1-[2,3,5,6-tetradeuterio-4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran is [2H]c1c([2H])c(-c2cccc3oc4cc(-c5ccccc5)ccc4c23)c([2H])c([2H])c1-c1c2ccccc2c(-c2ccccc2)c2ccccc12.
What is the InChIKey of 7-phenyl-1-[2,3,5,6-tetradeuterio-4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran?
The InChIKey is SKBZTEFVQGUSTO-KRVDAMSASA-N. The full InChI is InChI=1S/C44H28O/c1-3-12-29(13-4-1)33-26-27-39-41(28-33)45-40-21-11-20-34(44(39)40)30-22-24-32(25-23-30)43-37-18-9-7-16-35(37)42(31-14-5-2-6-15-31)36-17-8-10-19-38(36)43/h1-28H/i22D,23D,24D,25D.
What are the key properties of 7-phenyl-1-[2,3,5,6-tetradeuterio-4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran?
7-phenyl-1-[2,3,5,6-tetradeuterio-4-(10-phenylanthracen-9-yl)phenyl]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 7-phenyl-1-[2,3,5,6-tetradeuterio-4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran is sourced from PubChem (CID 167405887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).