1,2,3,4,6,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-7-(10-phenylanthracen-9-yl)dibenzofuran

C38H24O — CID 170661708

IUPAC1,2,3,4,6,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-7-(10-phenylanthracen-9-yl)dibenzofuran
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)c([2H])c3oc4c([2H])c([2H])c([2H])c([2H])c4c23)c([2H])c1[2H]
InChIInChI=1S/C38H24O/c1-3-13-25(14-4-1)33-23-27(24-35-38(33)32-21-11-12-22-34(32)39-35)37-30-19-9-7-17-28(30)36(26-15-5-2-6-16-26)29-18-8-10-20-31(29)37/h1-24H/i1D,3D,4D,11D,12D,13D,14D,21D,22D,23D,24D
InChIKeyOJAJFNIPEJVNOG-NDNFPDBJSA-N
MW507.68 g/mol
LogP10.89
Rot. Bonds3

About 1,2,3,4,6,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-7-(10-phenylanthracen-9-yl)dibenzofuran

1,2,3,4,6,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-7-(10-phenylanthracen-9-yl)dibenzofuran (PubChem CID 170661708) has the molecular formula C38H24O and a molecular weight of 507.68 g/mol. Its IUPAC name is 1,2,3,4,6,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-7-(10-phenylanthracen-9-yl)dibenzofuran.

Molecular Properties

Compound Name1,2,3,4,6,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-7-(10-phenylanthracen-9-yl)dibenzofuran
PubChem CID170661708
Molecular FormulaC38H24O
Molecular Weight507.68 g/mol
Exact Mass507.25
IUPAC Name1,2,3,4,6,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-7-(10-phenylanthracen-9-yl)dibenzofuran
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)c([2H])c3oc4c([2H])c([2H])c([2H])c([2H])c4c23)c([2H])c1[2H]
InChIInChI=1S/C38H24O/c1-3-13-25(14-4-1)33-23-27(24-35-38(33)32-21-11-12-22-34(32)39-35)37-30-19-9-7-17-28(30)36(26-15-5-2-6-16-26)29-18-8-10-20-31(29)37/h1-24H/i1D,3D,4D,11D,12D,13D,14D,21D,22D,23D,24D
InChIKeyOJAJFNIPEJVNOG-NDNFPDBJSA-N
XLogP10.89
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.68
LogP ≤ 510.89
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-[10-[2,4,6,7,8,9-hexadeuterio-3-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-yl]anthracen-9-yl]dibenzofuran
CID 170663265
1,2,4,6,7,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-3-[10-(2,3,5,6-tetradeuterio-4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 170662552
1,3,4,6,7,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-2-[10-(2,3,5,6-tetradeuterio-4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 170661741
1,2,3,4,7,9-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)-8-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 170662043
1,2,4,6,7,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-3-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran
CID 170663366
1,2,3,4,6,7-hexadeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)-9-[10-(2,3,5,6-tetradeuterio-4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 170663163
1,2,3,4,6,8,9-heptadeuterio-7-[2,4,5,6,7,8-hexadeuterio-3-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 166587485
1,2,3,4,6,7,8-heptadeuterio-9-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran
CID 170653613
1,2,4,6,7,8-hexadeuterio-9-[10-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]-3-phenyldibenzofuran
CID 170662939
1,2,4,6,7,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-3-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]dibenzofuran
CID 167406531
1,2,3,4,6,7,8-heptadeuterio-9-[10-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 170653700
1,2,4,6,7,8-hexadeuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-9-[10-[2,3,4,5-tetradeuterio-6-(2,3,5,6-tetradeuterio-4-phenylphenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 170661893

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,6,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-7-(10-phenylanthracen-9-yl)dibenzofuran?
The IUPAC name of 1,2,3,4,6,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-7-(10-phenylanthracen-9-yl)dibenzofuran (CID 170661708) is 1,2,3,4,6,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-7-(10-phenylanthracen-9-yl)dibenzofuran.
What is the SMILES notation for 1,2,3,4,6,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-7-(10-phenylanthracen-9-yl)dibenzofuran?
The canonical SMILES for 1,2,3,4,6,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-7-(10-phenylanthracen-9-yl)dibenzofuran is [2H]c1c([2H])c([2H])c(-c2c([2H])c(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)c([2H])c3oc4c([2H])c([2H])c([2H])c([2H])c4c23)c([2H])c1[2H].
What is the InChIKey of 1,2,3,4,6,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-7-(10-phenylanthracen-9-yl)dibenzofuran?
The InChIKey is OJAJFNIPEJVNOG-NDNFPDBJSA-N. The full InChI is InChI=1S/C38H24O/c1-3-13-25(14-4-1)33-23-27(24-35-38(33)32-21-11-12-22-34(32)39-35)37-30-19-9-7-17-28(30)36(26-15-5-2-6-16-26)29-18-8-10-20-31(29)37/h1-24H/i1D,3D,4D,11D,12D,13D,14D,21D,22D,23D,24D.
What are the key properties of 1,2,3,4,6,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-7-(10-phenylanthracen-9-yl)dibenzofuran?
1,2,3,4,6,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-7-(10-phenylanthracen-9-yl)dibenzofuran has a molecular weight of 507.68 g/mol, XLogP of 10.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,6,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-7-(10-phenylanthracen-9-yl)dibenzofuran is sourced from PubChem (CID 170661708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).