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

C48H30O — CID 167405242

IUPAC6-naphthalen-2-yl-1-[2,3,5,6-tetradeuterio-4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
SMILES[2H]c1c([2H])c(-c2cccc3oc4c(-c5ccc6ccccc6c5)cccc4c23)c([2H])c([2H])c1-c1c2ccccc2c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C48H30O/c1-2-13-33(14-3-1)45-39-16-6-8-18-41(39)46(42-19-9-7-17-40(42)45)34-27-25-32(26-28-34)37-20-11-23-44-47(37)43-22-10-21-38(48(43)49-44)36-29-24-31-12-4-5-15-35(31)30-36/h1-30H/i25D,26D,27D,28D
InChIKeyQTDXDDDPQHTPEG-VJERBKOKSA-N
MW626.79 g/mol
LogP13.71
Rot. Bonds4

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

6-naphthalen-2-yl-1-[2,3,5,6-tetradeuterio-4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran (PubChem CID 167405242) has the molecular formula C48H30O and a molecular weight of 626.79 g/mol. Its IUPAC name is 6-naphthalen-2-yl-1-[2,3,5,6-tetradeuterio-4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran.

Molecular Properties

Compound Name6-naphthalen-2-yl-1-[2,3,5,6-tetradeuterio-4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
PubChem CID167405242
Molecular FormulaC48H30O
Molecular Weight626.79 g/mol
Exact Mass626.25
IUPAC Name6-naphthalen-2-yl-1-[2,3,5,6-tetradeuterio-4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
SMILES[2H]c1c([2H])c(-c2cccc3oc4c(-c5ccc6ccccc6c5)cccc4c23)c([2H])c([2H])c1-c1c2ccccc2c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C48H30O/c1-2-13-33(14-3-1)45-39-16-6-8-18-41(39)46(42-19-9-7-17-40(42)45)34-27-25-32(26-28-34)37-20-11-23-44-47(37)43-22-10-21-38(48(43)49-44)36-29-24-31-12-4-5-15-35(31)30-36/h1-30H/i25D,26D,27D,28D
InChIKeyQTDXDDDPQHTPEG-VJERBKOKSA-N
XLogP13.71
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.79
LogP ≤ 513.71
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
8-naphthalen-1-yl-1-[2,3,5,6-tetradeuterio-4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 167407345
4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]dibenzofuran
CID 143811483
6-naphthalen-2-yl-2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)dibenzofuran
CID 165169697
6-naphthalen-2-yl-1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-6-phenanthren-9-yldibenzofuran
CID 167590112
3-phenyl-7-[10-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 170654064
4-(2,3,4,5,6-pentadeuteriophenyl)-6-[10-(2,3,5,6-tetradeuterio-4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran
CID 164737873
6-naphthalen-2-yl-1-[10-(2-triphenylen-2-ylphenyl)anthracen-9-yl]dibenzofuran
CID 155454144
1-phenyl-6-[10-[5-[6-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran
CID 175617518
1-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]dibenzofuran
CID 146651916
1-[4-[10-(6-deuterionaphthalen-2-yl)anthracen-9-yl]phenyl]-4-(4-deuteriophenyl)dibenzofuran
CID 171449624
2-naphthalen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-[3-(9-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 170214029

Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-2-yl-1-[2,3,5,6-tetradeuterio-4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran?
The IUPAC name of 6-naphthalen-2-yl-1-[2,3,5,6-tetradeuterio-4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran (CID 167405242) is 6-naphthalen-2-yl-1-[2,3,5,6-tetradeuterio-4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran.
What is the SMILES notation for 6-naphthalen-2-yl-1-[2,3,5,6-tetradeuterio-4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran?
The canonical SMILES for 6-naphthalen-2-yl-1-[2,3,5,6-tetradeuterio-4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran is [2H]c1c([2H])c(-c2cccc3oc4c(-c5ccc6ccccc6c5)cccc4c23)c([2H])c([2H])c1-c1c2ccccc2c(-c2ccccc2)c2ccccc12.
What is the InChIKey of 6-naphthalen-2-yl-1-[2,3,5,6-tetradeuterio-4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran?
The InChIKey is QTDXDDDPQHTPEG-VJERBKOKSA-N. The full InChI is InChI=1S/C48H30O/c1-2-13-33(14-3-1)45-39-16-6-8-18-41(39)46(42-19-9-7-17-40(42)45)34-27-25-32(26-28-34)37-20-11-23-44-47(37)43-22-10-21-38(48(43)49-44)36-29-24-31-12-4-5-15-35(31)30-36/h1-30H/i25D,26D,27D,28D.
What are the key properties of 6-naphthalen-2-yl-1-[2,3,5,6-tetradeuterio-4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran?
6-naphthalen-2-yl-1-[2,3,5,6-tetradeuterio-4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran has a molecular weight of 626.79 g/mol, XLogP of 13.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-2-yl-1-[2,3,5,6-tetradeuterio-4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran is sourced from PubChem (CID 167405242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).