7,8,9,10-tetradeuterio-5-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran

C36H22O — CID 176840786

IUPAC7,8,9,10-tetradeuterio-5-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
SMILES[2H]c1c([2H])c([2H])c2c(oc3c4ccccc4c(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc32)c1[2H]
InChIInChI=1S/C36H22O/c1-2-12-23(13-3-1)34-26-16-5-7-18-28(26)35(29-19-8-6-17-27(29)34)31-22-32-25-15-10-11-21-33(25)37-36(32)30-20-9-4-14-24(30)31/h1-22H/i10D,11D,15D,21D
InChIKeyMCGFUNLFCDBDCP-SLNWCEDUSA-N
MW474.60 g/mol
LogP10.38
Rot. Bonds2

About 7,8,9,10-tetradeuterio-5-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran

7,8,9,10-tetradeuterio-5-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran (PubChem CID 176840786) has the molecular formula C36H22O and a molecular weight of 474.60 g/mol. Its IUPAC name is 7,8,9,10-tetradeuterio-5-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran.

Molecular Properties

Compound Name7,8,9,10-tetradeuterio-5-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
PubChem CID176840786
Molecular FormulaC36H22O
Molecular Weight474.60 g/mol
Exact Mass474.19
IUPAC Name7,8,9,10-tetradeuterio-5-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
SMILES[2H]c1c([2H])c([2H])c2c(oc3c4ccccc4c(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc32)c1[2H]
InChIInChI=1S/C36H22O/c1-2-12-23(13-3-1)34-26-16-5-7-18-28(26)35(29-19-8-6-17-27(29)34)31-22-32-25-15-10-11-21-33(25)37-36(32)30-20-9-4-14-24(30)31/h1-22H/i10D,11D,15D,21D
InChIKeyMCGFUNLFCDBDCP-SLNWCEDUSA-N
XLogP10.38
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.60
LogP ≤ 510.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 7,8,9,10-tetradeuterio-5-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran 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

1,2,3,4,7,8,9-heptadeuterio-6-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 167405399
1,2,3,4-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)dibenzofuran
CID 176786272
1,2,3,4,7,9-hexadeuterio-6-phenyl-8-(10-phenylanthracen-9-yl)dibenzofuran
CID 170664400
1,2,3,4,8,9-hexadeuterio-7-[10-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]-6-phenyldibenzofuran
CID 170662454
1,2,3,4,8,9-hexadeuterio-7-(10-naphthalen-2-ylanthracen-9-yl)-6-phenyldibenzofuran
CID 170664023
1,2,3,4,7,9-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)-8-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 170662043
11-(10-phenylanthracen-9-yl)-9,15-dioxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1,3,5,7,10,12,14(22),16,18,20,23-undecaene
CID 130212291
1,2,3,4,6-pentadeuterio-5-phenyl-7-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
CID 170653837
1,2,3,4,6,7,9-heptadeuterio-8-(1,2,3,4-tetradeuterio-10-phenylanthracen-9-yl)dibenzofuran
CID 158009382
16-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 130185420
1,2,3,4,6,9-hexadeuterio-8-phenyl-7-[10-(2,3,5,6-tetradeuterio-4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 170663477
3-[10-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]-4-phenyldibenzofuran
CID 170662489

Frequently Asked Questions

What is the IUPAC name of 7,8,9,10-tetradeuterio-5-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran?
The IUPAC name of 7,8,9,10-tetradeuterio-5-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran (CID 176840786) is 7,8,9,10-tetradeuterio-5-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran.
What is the SMILES notation for 7,8,9,10-tetradeuterio-5-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran?
The canonical SMILES for 7,8,9,10-tetradeuterio-5-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran is [2H]c1c([2H])c([2H])c2c(oc3c4ccccc4c(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc32)c1[2H].
What is the InChIKey of 7,8,9,10-tetradeuterio-5-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran?
The InChIKey is MCGFUNLFCDBDCP-SLNWCEDUSA-N. The full InChI is InChI=1S/C36H22O/c1-2-12-23(13-3-1)34-26-16-5-7-18-28(26)35(29-19-8-6-17-27(29)34)31-22-32-25-15-10-11-21-33(25)37-36(32)30-20-9-4-14-24(30)31/h1-22H/i10D,11D,15D,21D.
What are the key properties of 7,8,9,10-tetradeuterio-5-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran?
7,8,9,10-tetradeuterio-5-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran has a molecular weight of 474.60 g/mol, XLogP of 10.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,9,10-tetradeuterio-5-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 176840786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).