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

C48H30O — CID 167407345

IUPAC8-naphthalen-1-yl-1-[2,3,5,6-tetradeuterio-4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
SMILES[2H]c1c([2H])c(-c2cccc3oc4ccc(-c5cccc6ccccc56)cc4c23)c([2H])c([2H])c1-c1c2ccccc2c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C48H30O/c1-2-13-33(14-3-1)46-39-17-6-8-19-41(39)47(42-20-9-7-18-40(42)46)34-26-24-32(25-27-34)38-22-11-23-45-48(38)43-30-35(28-29-44(43)49-45)37-21-10-15-31-12-4-5-16-36(31)37/h1-30H/i24D,25D,26D,27D
InChIKeyXVCNHXFEUZRUFN-ZTHNUDSJSA-N
MW626.79 g/mol
LogP13.71
Rot. Bonds4

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

8-naphthalen-1-yl-1-[2,3,5,6-tetradeuterio-4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran (PubChem CID 167407345) has the molecular formula C48H30O and a molecular weight of 626.79 g/mol. Its IUPAC name is 8-naphthalen-1-yl-1-[2,3,5,6-tetradeuterio-4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran.

Molecular Properties

Compound Name8-naphthalen-1-yl-1-[2,3,5,6-tetradeuterio-4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
PubChem CID167407345
Molecular FormulaC48H30O
Molecular Weight626.79 g/mol
Exact Mass626.25
IUPAC Name8-naphthalen-1-yl-1-[2,3,5,6-tetradeuterio-4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
SMILES[2H]c1c([2H])c(-c2cccc3oc4ccc(-c5cccc6ccccc56)cc4c23)c([2H])c([2H])c1-c1c2ccccc2c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C48H30O/c1-2-13-33(14-3-1)46-39-17-6-8-19-41(39)47(42-20-9-7-18-40(42)46)34-26-24-32(25-27-34)38-22-11-23-45-48(38)43-30-35(28-29-44(43)49-45)37-21-10-15-31-12-4-5-16-36(31)37/h1-30H/i24D,25D,26D,27D
InChIKeyXVCNHXFEUZRUFN-ZTHNUDSJSA-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-[2,3,4,6-tetradeuterio-5-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 167405730
1-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-8-phenyldibenzofuran
CID 174167556
10-(2-naphthalen-1-yl-10-phenylanthracen-9-yl)naphtho[2,1-b][1]benzofuran
CID 166587818
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
1-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-8-(10-phenylanthracen-9-yl)dibenzofuran
CID 161049408
1-[3-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 164779542
7-phenyl-1-[2,3,5,6-tetradeuterio-4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 167405887
7-naphthalen-2-yl-1-[2,3,5,6-tetradeuterio-4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 167407269
6-naphthalen-2-yl-1-[2,3,5,6-tetradeuterio-4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 167405242
2-[10-naphthalen-1-yl-9-(4-phenylphenyl)anthracen-1-yl]dibenzofuran
CID 58323116
8-(2,3,4,5,6-pentadeuteriophenyl)-1-[10-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]anthracen-9-yl]dibenzofuran
CID 170663275
2-[4-[4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]phenyl]dibenzofuran
CID 59866524

Frequently Asked Questions

What is the IUPAC name of 8-naphthalen-1-yl-1-[2,3,5,6-tetradeuterio-4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran?
The IUPAC name of 8-naphthalen-1-yl-1-[2,3,5,6-tetradeuterio-4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran (CID 167407345) is 8-naphthalen-1-yl-1-[2,3,5,6-tetradeuterio-4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran.
What is the SMILES notation for 8-naphthalen-1-yl-1-[2,3,5,6-tetradeuterio-4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran?
The canonical SMILES for 8-naphthalen-1-yl-1-[2,3,5,6-tetradeuterio-4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran is [2H]c1c([2H])c(-c2cccc3oc4ccc(-c5cccc6ccccc56)cc4c23)c([2H])c([2H])c1-c1c2ccccc2c(-c2ccccc2)c2ccccc12.
What is the InChIKey of 8-naphthalen-1-yl-1-[2,3,5,6-tetradeuterio-4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran?
The InChIKey is XVCNHXFEUZRUFN-ZTHNUDSJSA-N. The full InChI is InChI=1S/C48H30O/c1-2-13-33(14-3-1)46-39-17-6-8-19-41(39)47(42-20-9-7-18-40(42)46)34-26-24-32(25-27-34)38-22-11-23-45-48(38)43-30-35(28-29-44(43)49-45)37-21-10-15-31-12-4-5-16-36(31)37/h1-30H/i24D,25D,26D,27D.
What are the key properties of 8-naphthalen-1-yl-1-[2,3,5,6-tetradeuterio-4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran?
8-naphthalen-1-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 8-naphthalen-1-yl-1-[2,3,5,6-tetradeuterio-4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran is sourced from PubChem (CID 167407345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).