2-[10-(2,3,4,5-tetradeuterio-6-phenylphenyl)anthracen-9-yl]dibenzofuran

C38H24O — CID 170654038

IUPAC2-[10-(2,3,4,5-tetradeuterio-6-phenylphenyl)anthracen-9-yl]dibenzofuran
SMILES[2H]c1c([2H])c([2H])c(-c2c3ccccc3c(-c3ccc4oc5ccccc5c4c3)c3ccccc23)c(-c2ccccc2)c1[2H]
InChIInChI=1S/C38H24O/c1-2-12-25(13-3-1)27-14-4-5-16-29(27)38-32-19-8-6-17-30(32)37(31-18-7-9-20-33(31)38)26-22-23-36-34(24-26)28-15-10-11-21-35(28)39-36/h1-24H/i4D,5D,14D,16D
InChIKeyLRSXQLJIYQUNQE-BDESEOQNSA-N
MW500.63 g/mol
LogP10.89
Rot. Bonds3

About 2-[10-(2,3,4,5-tetradeuterio-6-phenylphenyl)anthracen-9-yl]dibenzofuran

2-[10-(2,3,4,5-tetradeuterio-6-phenylphenyl)anthracen-9-yl]dibenzofuran (PubChem CID 170654038) has the molecular formula C38H24O and a molecular weight of 500.63 g/mol. Its IUPAC name is 2-[10-(2,3,4,5-tetradeuterio-6-phenylphenyl)anthracen-9-yl]dibenzofuran.

Molecular Properties

Compound Name2-[10-(2,3,4,5-tetradeuterio-6-phenylphenyl)anthracen-9-yl]dibenzofuran
PubChem CID170654038
Molecular FormulaC38H24O
Molecular Weight500.63 g/mol
Exact Mass500.21
IUPAC Name2-[10-(2,3,4,5-tetradeuterio-6-phenylphenyl)anthracen-9-yl]dibenzofuran
SMILES[2H]c1c([2H])c([2H])c(-c2c3ccccc3c(-c3ccc4oc5ccccc5c4c3)c3ccccc23)c(-c2ccccc2)c1[2H]
InChIInChI=1S/C38H24O/c1-2-12-25(13-3-1)27-14-4-5-16-29(27)38-32-19-8-6-17-30(32)37(31-18-7-9-20-33(31)38)26-22-23-36-34(24-26)28-15-10-11-21-35(28)39-36/h1-24H/i4D,5D,14D,16D
InChIKeyLRSXQLJIYQUNQE-BDESEOQNSA-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 ≤ 500500.63
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

2-phenyl-8-[10-(2,3,4,5-tetradeuterio-6-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 170663547
2-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran
CID 153436479
2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[1,2,3,4,5,6,7,8-octadeuterio-10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 160983299
2-(2,3,4,5,6-pentadeuteriophenyl)-7-[10-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 170662080
8-[10-(2,3,4,5-tetradeuterio-6-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 170653484
2-[10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracen-9-yl]-8-phenyldibenzofuran
CID 170664348
2-[10-[2,3,4,5-tetradeuterio-6-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 170663237
2-[10-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]-8-phenyldibenzofuran
CID 170664060
2-[10-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]-3-phenyldibenzofuran
CID 170653692
2-[10-[2,3,4,5-tetradeuterio-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 170661777
2-[1,2,3,4,5,6,7,8-octadeuterio-10-[4-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran
CID 176646920
2-[4-[1,2,3,4,5,6,7,8-octadeuterio-10-(3-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 153474857

Frequently Asked Questions

What is the IUPAC name of 2-[10-(2,3,4,5-tetradeuterio-6-phenylphenyl)anthracen-9-yl]dibenzofuran?
The IUPAC name of 2-[10-(2,3,4,5-tetradeuterio-6-phenylphenyl)anthracen-9-yl]dibenzofuran (CID 170654038) is 2-[10-(2,3,4,5-tetradeuterio-6-phenylphenyl)anthracen-9-yl]dibenzofuran.
What is the SMILES notation for 2-[10-(2,3,4,5-tetradeuterio-6-phenylphenyl)anthracen-9-yl]dibenzofuran?
The canonical SMILES for 2-[10-(2,3,4,5-tetradeuterio-6-phenylphenyl)anthracen-9-yl]dibenzofuran is [2H]c1c([2H])c([2H])c(-c2c3ccccc3c(-c3ccc4oc5ccccc5c4c3)c3ccccc23)c(-c2ccccc2)c1[2H].
What is the InChIKey of 2-[10-(2,3,4,5-tetradeuterio-6-phenylphenyl)anthracen-9-yl]dibenzofuran?
The InChIKey is LRSXQLJIYQUNQE-BDESEOQNSA-N. The full InChI is InChI=1S/C38H24O/c1-2-12-25(13-3-1)27-14-4-5-16-29(27)38-32-19-8-6-17-30(32)37(31-18-7-9-20-33(31)38)26-22-23-36-34(24-26)28-15-10-11-21-35(28)39-36/h1-24H/i4D,5D,14D,16D.
What are the key properties of 2-[10-(2,3,4,5-tetradeuterio-6-phenylphenyl)anthracen-9-yl]dibenzofuran?
2-[10-(2,3,4,5-tetradeuterio-6-phenylphenyl)anthracen-9-yl]dibenzofuran has a molecular weight of 500.63 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-[10-(2,3,4,5-tetradeuterio-6-phenylphenyl)anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 170654038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).