1-[4-[10-(6-deuterionaphthalen-2-yl)anthracen-9-yl]phenyl]-4-(4-deuteriophenyl)dibenzofuran

C48H30O — CID 171449624

IUPAC1-[4-[10-(6-deuterionaphthalen-2-yl)anthracen-9-yl]phenyl]-4-(4-deuteriophenyl)dibenzofuran
SMILES[2H]c1ccc(-c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccc6cc([2H])ccc6c5)c5ccccc45)cc3)c3c2oc2ccccc23)cc1
InChIInChI=1S/C48H30O/c1-2-13-32(14-3-1)38-29-28-37(47-43-20-10-11-21-44(43)49-48(38)47)33-23-25-34(26-24-33)45-39-16-6-8-18-41(39)46(42-19-9-7-17-40(42)45)36-27-22-31-12-4-5-15-35(31)30-36/h1-30H/i1D,4D
InChIKeyPPWHDXAICUPKLN-DRSKVUCWSA-N
MW624.78 g/mol
LogP13.71
Rot. Bonds4

About 1-[4-[10-(6-deuterionaphthalen-2-yl)anthracen-9-yl]phenyl]-4-(4-deuteriophenyl)dibenzofuran

1-[4-[10-(6-deuterionaphthalen-2-yl)anthracen-9-yl]phenyl]-4-(4-deuteriophenyl)dibenzofuran (PubChem CID 171449624) has the molecular formula C48H30O and a molecular weight of 624.78 g/mol. Its IUPAC name is 1-[4-[10-(6-deuterionaphthalen-2-yl)anthracen-9-yl]phenyl]-4-(4-deuteriophenyl)dibenzofuran.

Molecular Properties

Compound Name1-[4-[10-(6-deuterionaphthalen-2-yl)anthracen-9-yl]phenyl]-4-(4-deuteriophenyl)dibenzofuran
PubChem CID171449624
Molecular FormulaC48H30O
Molecular Weight624.78 g/mol
Exact Mass624.24
IUPAC Name1-[4-[10-(6-deuterionaphthalen-2-yl)anthracen-9-yl]phenyl]-4-(4-deuteriophenyl)dibenzofuran
SMILES[2H]c1ccc(-c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccc6cc([2H])ccc6c5)c5ccccc45)cc3)c3c2oc2ccccc23)cc1
InChIInChI=1S/C48H30O/c1-2-13-32(14-3-1)38-29-28-37(47-43-20-10-11-21-44(43)49-48(38)47)33-23-25-34(26-24-33)45-39-16-6-8-18-41(39)46(42-19-9-7-17-40(42)45)36-27-22-31-12-4-5-15-35(31)30-36/h1-30H/i1D,4D
InChIKeyPPWHDXAICUPKLN-DRSKVUCWSA-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 ≤ 500624.78
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'}

Analyze 1-[4-[10-(6-deuterionaphthalen-2-yl)anthracen-9-yl]phenyl]-4-(4-deuteriophenyl)dibenzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[10-[4-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]-6-phenyldibenzofuran
CID 171449649
4-(10-naphthalen-2-ylanthracen-9-yl)-1-phenyldibenzofuran;2-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;1-phenyl-4-(10-phenylanthracen-9-yl)dibenzofuran;4-phenyl-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 159810886
1-[10-(6-deuterionaphthalen-2-yl)anthracen-9-yl]dibenzofuran
CID 170653754
1-(10-naphthalen-2-ylanthracen-9-yl)-3-phenyldibenzofuran;1-(10-naphthalen-2-ylanthracen-9-yl)-4-phenyldibenzofuran;3-naphthalen-2-yl-1-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran
CID 158475417
1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
CID 118563907
1-[10-(3,5-diphenylphenyl)anthracen-9-yl]-3-phenyldibenzofuran;3-naphthalen-2-yl-1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran;4-phenyl-1-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 160759969
6-naphthalen-2-yl-1-[2,3,5,6-tetradeuterio-4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 167405242
2-naphthalen-2-yl-4,6-bis(4-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 177112498
1-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;1-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran
CID 167615058
1-[4-[3-[10-(4-dibenzofuran-4-ylphenyl)-9-naphthalen-2-ylanthracen-2-yl]-10-naphthalen-2-ylanthracen-9-yl]phenyl]dibenzofuran
CID 166671529
4-naphthalen-2-yl-1-(6-phenylpyren-1-yl)dibenzofuran
CID 174168113
11-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 130190252

Frequently Asked Questions

What is the IUPAC name of 1-[4-[10-(6-deuterionaphthalen-2-yl)anthracen-9-yl]phenyl]-4-(4-deuteriophenyl)dibenzofuran?
The IUPAC name of 1-[4-[10-(6-deuterionaphthalen-2-yl)anthracen-9-yl]phenyl]-4-(4-deuteriophenyl)dibenzofuran (CID 171449624) is 1-[4-[10-(6-deuterionaphthalen-2-yl)anthracen-9-yl]phenyl]-4-(4-deuteriophenyl)dibenzofuran.
What is the SMILES notation for 1-[4-[10-(6-deuterionaphthalen-2-yl)anthracen-9-yl]phenyl]-4-(4-deuteriophenyl)dibenzofuran?
The canonical SMILES for 1-[4-[10-(6-deuterionaphthalen-2-yl)anthracen-9-yl]phenyl]-4-(4-deuteriophenyl)dibenzofuran is [2H]c1ccc(-c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccc6cc([2H])ccc6c5)c5ccccc45)cc3)c3c2oc2ccccc23)cc1.
What is the InChIKey of 1-[4-[10-(6-deuterionaphthalen-2-yl)anthracen-9-yl]phenyl]-4-(4-deuteriophenyl)dibenzofuran?
The InChIKey is PPWHDXAICUPKLN-DRSKVUCWSA-N. The full InChI is InChI=1S/C48H30O/c1-2-13-32(14-3-1)38-29-28-37(47-43-20-10-11-21-44(43)49-48(38)47)33-23-25-34(26-24-33)45-39-16-6-8-18-41(39)46(42-19-9-7-17-40(42)45)36-27-22-31-12-4-5-15-35(31)30-36/h1-30H/i1D,4D.
What are the key properties of 1-[4-[10-(6-deuterionaphthalen-2-yl)anthracen-9-yl]phenyl]-4-(4-deuteriophenyl)dibenzofuran?
1-[4-[10-(6-deuterionaphthalen-2-yl)anthracen-9-yl]phenyl]-4-(4-deuteriophenyl)dibenzofuran has a molecular weight of 624.78 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 1-[4-[10-(6-deuterionaphthalen-2-yl)anthracen-9-yl]phenyl]-4-(4-deuteriophenyl)dibenzofuran is sourced from PubChem (CID 171449624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).