3-(1,2,3,4,5,6,7,8,10-nonadeuterioanthracen-9-yl)naphtho[2,3-b][1]benzofuran

C30H18O — CID 177271229

IUPAC3-(1,2,3,4,5,6,7,8,10-nonadeuterioanthracen-9-yl)naphtho[2,3-b][1]benzofuran
SMILES[2H]c1c([2H])c([2H])c2c(-c3ccc4c(c3)oc3cc5ccccc5cc34)c3c([2H])c([2H])c([2H])c([2H])c3c([2H])c2c1[2H]
InChIInChI=1S/C30H18O/c1-2-8-20-17-29-27(16-19(20)7-1)26-14-13-23(18-28(26)31-29)30-24-11-5-3-9-21(24)15-22-10-4-6-12-25(22)30/h1-18H/i3D,4D,5D,6D,9D,10D,11D,12D,15D
InChIKeyXQHSRDGJXOTIHF-ZFSQGTSMSA-N
MW403.53 g/mol
LogP8.71
Rot. Bonds1

About 3-(1,2,3,4,5,6,7,8,10-nonadeuterioanthracen-9-yl)naphtho[2,3-b][1]benzofuran

3-(1,2,3,4,5,6,7,8,10-nonadeuterioanthracen-9-yl)naphtho[2,3-b][1]benzofuran (PubChem CID 177271229) has the molecular formula C30H18O and a molecular weight of 403.53 g/mol. Its IUPAC name is 3-(1,2,3,4,5,6,7,8,10-nonadeuterioanthracen-9-yl)naphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound Name3-(1,2,3,4,5,6,7,8,10-nonadeuterioanthracen-9-yl)naphtho[2,3-b][1]benzofuran
PubChem CID177271229
Molecular FormulaC30H18O
Molecular Weight403.53 g/mol
Exact Mass403.19
IUPAC Name3-(1,2,3,4,5,6,7,8,10-nonadeuterioanthracen-9-yl)naphtho[2,3-b][1]benzofuran
SMILES[2H]c1c([2H])c([2H])c2c(-c3ccc4c(c3)oc3cc5ccccc5cc34)c3c([2H])c([2H])c([2H])c([2H])c3c([2H])c2c1[2H]
InChIInChI=1S/C30H18O/c1-2-8-20-17-29-27(16-19(20)7-1)26-14-13-23(18-28(26)31-29)30-24-11-5-3-9-21(24)15-22-10-4-6-12-25(22)30/h1-18H/i3D,4D,5D,6D,9D,10D,11D,12D,15D
InChIKeyXQHSRDGJXOTIHF-ZFSQGTSMSA-N
XLogP8.71
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.53
LogP ≤ 58.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(1,2,3,4,5,6,7,8,10-nonadeuterioanthracen-9-yl)naphtho[2,3-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

3-[1,2,3,4,5,6,7,8-octadeuterio-10-(3-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 171420902
3-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 156625011
3-[10-[2,4,5,6,7,8-hexadeuterio-3-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 170663618
3-[10-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 170662979
3-[10-[3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 170663830
3-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 153436454
3-naphthalen-2-yl-7-[6-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran
CID 167405579
3-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 156624916
3-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)dibenzofuran
CID 153436594
3-[10-[2-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 170663209
3-[10-(2,4,6-trideuterio-3,5-diphenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 170662233
2-[1,2,3,4,5,6,7,8-octadeuterio-10-(3,5-diphenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 153473941

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,4,5,6,7,8,10-nonadeuterioanthracen-9-yl)naphtho[2,3-b][1]benzofuran?
The IUPAC name of 3-(1,2,3,4,5,6,7,8,10-nonadeuterioanthracen-9-yl)naphtho[2,3-b][1]benzofuran (CID 177271229) is 3-(1,2,3,4,5,6,7,8,10-nonadeuterioanthracen-9-yl)naphtho[2,3-b][1]benzofuran.
What is the SMILES notation for 3-(1,2,3,4,5,6,7,8,10-nonadeuterioanthracen-9-yl)naphtho[2,3-b][1]benzofuran?
The canonical SMILES for 3-(1,2,3,4,5,6,7,8,10-nonadeuterioanthracen-9-yl)naphtho[2,3-b][1]benzofuran is [2H]c1c([2H])c([2H])c2c(-c3ccc4c(c3)oc3cc5ccccc5cc34)c3c([2H])c([2H])c([2H])c([2H])c3c([2H])c2c1[2H].
What is the InChIKey of 3-(1,2,3,4,5,6,7,8,10-nonadeuterioanthracen-9-yl)naphtho[2,3-b][1]benzofuran?
The InChIKey is XQHSRDGJXOTIHF-ZFSQGTSMSA-N. The full InChI is InChI=1S/C30H18O/c1-2-8-20-17-29-27(16-19(20)7-1)26-14-13-23(18-28(26)31-29)30-24-11-5-3-9-21(24)15-22-10-4-6-12-25(22)30/h1-18H/i3D,4D,5D,6D,9D,10D,11D,12D,15D.
What are the key properties of 3-(1,2,3,4,5,6,7,8,10-nonadeuterioanthracen-9-yl)naphtho[2,3-b][1]benzofuran?
3-(1,2,3,4,5,6,7,8,10-nonadeuterioanthracen-9-yl)naphtho[2,3-b][1]benzofuran has a molecular weight of 403.53 g/mol, XLogP of 8.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,4,5,6,7,8,10-nonadeuterioanthracen-9-yl)naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 177271229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).