1-[2-[10-[4-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]phenyl]-7-methyldibenzofuran

C49H32O — CID 171449387

IUPAC1-[2-[10-[4-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]phenyl]-7-methyldibenzofuran
SMILES[2H]c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5ccccc5-c5cccc6oc7cc(C)ccc7c56)c5ccccc45)cc3)ccc2c1
InChIInChI=1S/C49H32O/c1-31-21-28-44-46(29-31)50-45-20-10-19-39(49(44)45)37-13-4-5-14-38(37)48-42-17-8-6-15-40(42)47(41-16-7-9-18-43(41)48)34-25-22-33(23-26-34)36-27-24-32-11-2-3-12-35(32)30-36/h2-30H,1H3/i2D
InChIKeyGWYHNYABFWBZAL-VMNATFBRSA-N
MW637.80 g/mol
LogP14.02
Rot. Bonds4

About 1-[2-[10-[4-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]phenyl]-7-methyldibenzofuran

1-[2-[10-[4-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]phenyl]-7-methyldibenzofuran (PubChem CID 171449387) has the molecular formula C49H32O and a molecular weight of 637.80 g/mol. Its IUPAC name is 1-[2-[10-[4-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]phenyl]-7-methyldibenzofuran.

Molecular Properties

Compound Name1-[2-[10-[4-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]phenyl]-7-methyldibenzofuran
PubChem CID171449387
Molecular FormulaC49H32O
Molecular Weight637.80 g/mol
Exact Mass637.25
IUPAC Name1-[2-[10-[4-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]phenyl]-7-methyldibenzofuran
SMILES[2H]c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5ccccc5-c5cccc6oc7cc(C)ccc7c56)c5ccccc45)cc3)ccc2c1
InChIInChI=1S/C49H32O/c1-31-21-28-44-46(29-31)50-45-20-10-19-39(49(44)45)37-13-4-5-14-38(37)48-42-17-8-6-15-40(42)47(41-16-7-9-18-43(41)48)34-25-22-33(23-26-34)36-27-24-32-11-2-3-12-35(32)30-36/h2-30H,1H3/i2D
InChIKeyGWYHNYABFWBZAL-VMNATFBRSA-N
XLogP14.02
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.80
LogP ≤ 514.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 1-[2-[10-[4-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]phenyl]-7-methyldibenzofuran 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

1-[10-(6-deuterionaphthalen-2-yl)anthracen-9-yl]dibenzofuran
CID 170653754
1-[10-[4-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]-6-methyldibenzofuran
CID 171449643
1-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
CID 176862831
7-deuterio-1-[10-[2-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]dibenzofuran
CID 171449377
1-[10-[3-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]-7-propan-2-yldibenzofuran
CID 171449473
7-naphthalen-2-yl-1-[2,3,5,6-tetradeuterio-4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 167407269
1-[10-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]-8-phenylnaphtho[2,3-b][1]benzofuran
CID 170653300
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-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
CID 118563907
1-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)dibenzofuran
CID 153436512
1-[3,10-bis(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 170653285
1-[10-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]anthracen-9-yl]-7-phenyldibenzofuran
CID 170662521

Frequently Asked Questions

What is the IUPAC name of 1-[2-[10-[4-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]phenyl]-7-methyldibenzofuran?
The IUPAC name of 1-[2-[10-[4-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]phenyl]-7-methyldibenzofuran (CID 171449387) is 1-[2-[10-[4-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]phenyl]-7-methyldibenzofuran.
What is the SMILES notation for 1-[2-[10-[4-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]phenyl]-7-methyldibenzofuran?
The canonical SMILES for 1-[2-[10-[4-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]phenyl]-7-methyldibenzofuran is [2H]c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5ccccc5-c5cccc6oc7cc(C)ccc7c56)c5ccccc45)cc3)ccc2c1.
What is the InChIKey of 1-[2-[10-[4-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]phenyl]-7-methyldibenzofuran?
The InChIKey is GWYHNYABFWBZAL-VMNATFBRSA-N. The full InChI is InChI=1S/C49H32O/c1-31-21-28-44-46(29-31)50-45-20-10-19-39(49(44)45)37-13-4-5-14-38(37)48-42-17-8-6-15-40(42)47(41-16-7-9-18-43(41)48)34-25-22-33(23-26-34)36-27-24-32-11-2-3-12-35(32)30-36/h2-30H,1H3/i2D.
What are the key properties of 1-[2-[10-[4-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]phenyl]-7-methyldibenzofuran?
1-[2-[10-[4-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]phenyl]-7-methyldibenzofuran has a molecular weight of 637.80 g/mol, XLogP of 14.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[10-[4-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]phenyl]-7-methyldibenzofuran is sourced from PubChem (CID 171449387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).