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

C48H30O — CID 167405730

IUPAC8-naphthalen-1-yl-1-[2,3,4,6-tetradeuterio-5-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
SMILES[2H]c1c([2H])c(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c([2H])c(-c2cccc3oc4ccc(-c5cccc6ccccc56)cc4c23)c1[2H]
InChIInChI=1S/C48H30O/c1-2-14-32(15-3-1)46-39-20-6-8-22-41(39)47(42-23-9-7-21-40(42)46)35-18-10-17-33(29-35)38-25-12-26-45-48(38)43-30-34(27-28-44(43)49-45)37-24-11-16-31-13-4-5-19-36(31)37/h1-30H/i10D,17D,18D,29D
InChIKeyWCSAZFWEFBPJRX-CRQUSZSTSA-N
MW626.79 g/mol
LogP13.71
Rot. Bonds4

About 8-naphthalen-1-yl-1-[2,3,4,6-tetradeuterio-5-(10-phenylanthracen-9-yl)phenyl]dibenzofuran

8-naphthalen-1-yl-1-[2,3,4,6-tetradeuterio-5-(10-phenylanthracen-9-yl)phenyl]dibenzofuran (PubChem CID 167405730) has the molecular formula C48H30O and a molecular weight of 626.79 g/mol. Its IUPAC name is 8-naphthalen-1-yl-1-[2,3,4,6-tetradeuterio-5-(10-phenylanthracen-9-yl)phenyl]dibenzofuran.

Molecular Properties

Compound Name8-naphthalen-1-yl-1-[2,3,4,6-tetradeuterio-5-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
PubChem CID167405730
Molecular FormulaC48H30O
Molecular Weight626.79 g/mol
Exact Mass626.25
IUPAC Name8-naphthalen-1-yl-1-[2,3,4,6-tetradeuterio-5-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
SMILES[2H]c1c([2H])c(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c([2H])c(-c2cccc3oc4ccc(-c5cccc6ccccc56)cc4c23)c1[2H]
InChIInChI=1S/C48H30O/c1-2-14-32(15-3-1)46-39-20-6-8-22-41(39)47(42-23-9-7-21-40(42)46)35-18-10-17-33(29-35)38-25-12-26-45-48(38)43-30-34(27-28-44(43)49-45)37-24-11-16-31-13-4-5-19-36(31)37/h1-30H/i10D,17D,18D,29D
InChIKeyWCSAZFWEFBPJRX-CRQUSZSTSA-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

8-naphthalen-1-yl-1-[2,3,5,6-tetradeuterio-4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 167407345
1-(2,3,4,5,6-pentadeuteriophenyl)-8-[10-(2,3,4,6-tetradeuterio-5-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 170662506
7-phenyl-1-[2,3,4,6-tetradeuterio-5-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 167405511
1-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-8-phenyldibenzofuran
CID 174167556
1-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-8-(10-phenylanthracen-9-yl)dibenzofuran
CID 161049408
1-[7-(2,3,4,5,6-pentadeuteriophenyl)-9,10-diphenylanthracen-2-yl]dibenzofuran
CID 168795926
8-[10-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)anthracen-9-yl]-1-phenyldibenzofuran
CID 170661749
8-(2,3,4,5,6-pentadeuteriophenyl)-1-(1,2,3,4-tetradeuterio-10-phenylanthracen-9-yl)dibenzofuran
CID 167379006
1-[3-phenyl-10-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 170653891
5-(3-naphthalen-1-yl-10-phenylanthracen-9-yl)-18-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 163772401
10-(2-naphthalen-1-yl-10-phenylanthracen-9-yl)naphtho[2,1-b][1]benzofuran
CID 166587818
8-(2,3,4,5,6-pentadeuteriophenyl)-1-[10-(2,3,6-trideuterio-4,5-diphenylphenyl)anthracen-9-yl]dibenzofuran
CID 170662491

Frequently Asked Questions

What is the IUPAC name of 8-naphthalen-1-yl-1-[2,3,4,6-tetradeuterio-5-(10-phenylanthracen-9-yl)phenyl]dibenzofuran?
The IUPAC name of 8-naphthalen-1-yl-1-[2,3,4,6-tetradeuterio-5-(10-phenylanthracen-9-yl)phenyl]dibenzofuran (CID 167405730) is 8-naphthalen-1-yl-1-[2,3,4,6-tetradeuterio-5-(10-phenylanthracen-9-yl)phenyl]dibenzofuran.
What is the SMILES notation for 8-naphthalen-1-yl-1-[2,3,4,6-tetradeuterio-5-(10-phenylanthracen-9-yl)phenyl]dibenzofuran?
The canonical SMILES for 8-naphthalen-1-yl-1-[2,3,4,6-tetradeuterio-5-(10-phenylanthracen-9-yl)phenyl]dibenzofuran is [2H]c1c([2H])c(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c([2H])c(-c2cccc3oc4ccc(-c5cccc6ccccc56)cc4c23)c1[2H].
What is the InChIKey of 8-naphthalen-1-yl-1-[2,3,4,6-tetradeuterio-5-(10-phenylanthracen-9-yl)phenyl]dibenzofuran?
The InChIKey is WCSAZFWEFBPJRX-CRQUSZSTSA-N. The full InChI is InChI=1S/C48H30O/c1-2-14-32(15-3-1)46-39-20-6-8-22-41(39)47(42-23-9-7-21-40(42)46)35-18-10-17-33(29-35)38-25-12-26-45-48(38)43-30-34(27-28-44(43)49-45)37-24-11-16-31-13-4-5-19-36(31)37/h1-30H/i10D,17D,18D,29D.
What are the key properties of 8-naphthalen-1-yl-1-[2,3,4,6-tetradeuterio-5-(10-phenylanthracen-9-yl)phenyl]dibenzofuran?
8-naphthalen-1-yl-1-[2,3,4,6-tetradeuterio-5-(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 8-naphthalen-1-yl-1-[2,3,4,6-tetradeuterio-5-(10-phenylanthracen-9-yl)phenyl]dibenzofuran is sourced from PubChem (CID 167405730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).