2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-7-phenyldibenzofuran

C38H24O — CID 165169699

IUPAC2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-7-phenyldibenzofuran
SMILES[2H]c1c([2H])c([2H])c2c(-c3ccc4oc5cc(-c6ccccc6)ccc5c4c3)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccccc3)c2c1[2H]
InChIInChI=1S/C38H24O/c1-3-11-25(12-4-1)27-19-21-29-34-23-28(20-22-35(34)39-36(29)24-27)38-32-17-9-7-15-30(32)37(26-13-5-2-6-14-26)31-16-8-10-18-33(31)38/h1-24H/i7D,8D,9D,10D,15D,16D,17D,18D
InChIKeyVZVOYFNRQXWFIE-XJQREANESA-N
MW504.66 g/mol
LogP10.89
Rot. Bonds3

About 2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-7-phenyldibenzofuran

2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-7-phenyldibenzofuran (PubChem CID 165169699) has the molecular formula C38H24O and a molecular weight of 504.66 g/mol. Its IUPAC name is 2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-7-phenyldibenzofuran.

Molecular Properties

Compound Name2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-7-phenyldibenzofuran
PubChem CID165169699
Molecular FormulaC38H24O
Molecular Weight504.66 g/mol
Exact Mass504.23
IUPAC Name2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-7-phenyldibenzofuran
SMILES[2H]c1c([2H])c([2H])c2c(-c3ccc4oc5cc(-c6ccccc6)ccc5c4c3)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccccc3)c2c1[2H]
InChIInChI=1S/C38H24O/c1-3-11-25(12-4-1)27-19-21-29-34-23-28(20-22-35(34)39-36(29)24-27)38-32-17-9-7-15-30(32)37(26-13-5-2-6-14-26)31-16-8-10-18-33(31)38/h1-24H/i7D,8D,9D,10D,15D,16D,17D,18D
InChIKeyVZVOYFNRQXWFIE-XJQREANESA-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 ≤ 500504.66
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'}

Analyze 2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-7-phenyldibenzofuran with MolForge

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Related Compounds

2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran;2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-8-(4-phenylphenyl)dibenzofuran
CID 167626488
2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-8-phenyldibenzofuran
CID 153474920
2-[4-[1,2,3,4,5,6,7,8-octadeuterio-10-(3-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 153474857
7-(2,3,4,5,6-pentadeuteriophenyl)-2-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 170662706
2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-7-phenyldibenzofuran;2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-8-phenyldibenzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-1-phenyldibenzofuran
CID 167678624
3-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 156625011
7-phenyl-2-[2,3,4,6-tetradeuterio-5-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 167406972
7-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 176751785
3-[1,2,3,4,5,6,7,8-octadeuterio-10-(3-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 171420902
1,2,3,4-tetradeuterio-8-[1,2,3,4,5,6,7,8-octadeuterio-10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran
CID 176786285
2-phenyl-8-[1,4,5,8-tetradeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran
CID 165169795
7-(9,10-diphenylanthracen-2-yl)-2-phenyldibenzofuran
CID 168795741

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-7-phenyldibenzofuran?
The IUPAC name of 2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-7-phenyldibenzofuran (CID 165169699) is 2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-7-phenyldibenzofuran.
What is the SMILES notation for 2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-7-phenyldibenzofuran?
The canonical SMILES for 2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-7-phenyldibenzofuran is [2H]c1c([2H])c([2H])c2c(-c3ccc4oc5cc(-c6ccccc6)ccc5c4c3)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccccc3)c2c1[2H].
What is the InChIKey of 2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-7-phenyldibenzofuran?
The InChIKey is VZVOYFNRQXWFIE-XJQREANESA-N. The full InChI is InChI=1S/C38H24O/c1-3-11-25(12-4-1)27-19-21-29-34-23-28(20-22-35(34)39-36(29)24-27)38-32-17-9-7-15-30(32)37(26-13-5-2-6-14-26)31-16-8-10-18-33(31)38/h1-24H/i7D,8D,9D,10D,15D,16D,17D,18D.
What are the key properties of 2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-7-phenyldibenzofuran?
2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-7-phenyldibenzofuran has a molecular weight of 504.66 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 2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-7-phenyldibenzofuran is sourced from PubChem (CID 165169699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).