11-anthracen-9-ylnaphtho[2,1-b][1]benzofuran

C30H18O — CID 170209534

IUPAC11-anthracen-9-ylnaphtho[2,1-b][1]benzofuran
SMILESc1ccc2c(-c3cccc4oc5ccc6ccccc6c5c34)c3ccccc3cc2c1
InChIInChI=1S/C30H18O/c1-4-11-22-19(8-1)16-17-27-29(22)30-25(14-7-15-26(30)31-27)28-23-12-5-2-9-20(23)18-21-10-3-6-13-24(21)28/h1-18H
InChIKeyNLYIGGPSPHSCKJ-UHFFFAOYSA-N
MW394.47 g/mol
LogP8.71
Rot. Bonds1

About 11-anthracen-9-ylnaphtho[2,1-b][1]benzofuran

11-anthracen-9-ylnaphtho[2,1-b][1]benzofuran (PubChem CID 170209534) has the molecular formula C30H18O and a molecular weight of 394.47 g/mol. Its IUPAC name is 11-anthracen-9-ylnaphtho[2,1-b][1]benzofuran.

Molecular Properties

Compound Name11-anthracen-9-ylnaphtho[2,1-b][1]benzofuran
PubChem CID170209534
Molecular FormulaC30H18O
Molecular Weight394.47 g/mol
Exact Mass394.14
IUPAC Name11-anthracen-9-ylnaphtho[2,1-b][1]benzofuran
SMILESc1ccc2c(-c3cccc4oc5ccc6ccccc6c5c34)c3ccccc3cc2c1
InChIInChI=1S/C30H18O/c1-4-11-22-19(8-1)16-17-27-29(22)30-25(14-7-15-26(30)31-27)28-23-12-5-2-9-20(23)18-21-10-3-6-13-24(21)28/h1-18H
InChIKeyNLYIGGPSPHSCKJ-UHFFFAOYSA-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 ≤ 500394.47
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 11-anthracen-9-ylnaphtho[2,1-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

11-[10-(3,5-diphenylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 155205291
11-benzo[a]anthracen-2-ylnaphtho[2,1-b][1]benzofuran
CID 177072140
11-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-naphtho[2,1-b][1]benzofuran-11-ylanthracen-1-yl]naphtho[2,1-b][1]benzofuran
CID 155334176
11-[10-[4-(2-naphthalen-2-ylphenyl)phenyl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 174273057
4-(10-phenanthren-4-ylanthracen-9-yl)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
CID 177265069
11-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 155201324
11-[3-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran
CID 155201319
4-(10-naphthalen-2-ylanthracen-9-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 167187041
11-(3-benzo[a]anthracen-7-yl-5-phenylphenyl)naphtho[2,1-b][1]benzofuran
CID 177072144
11-[5-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphtho[2,1-b][1]benzofuran
CID 164831072
11-[2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]naphtho[2,1-b][1]benzofuran
CID 164831142
11-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphtho[2,1-b][1]benzofuran
CID 164830919

Frequently Asked Questions

What is the IUPAC name of 11-anthracen-9-ylnaphtho[2,1-b][1]benzofuran?
The IUPAC name of 11-anthracen-9-ylnaphtho[2,1-b][1]benzofuran (CID 170209534) is 11-anthracen-9-ylnaphtho[2,1-b][1]benzofuran.
What is the SMILES notation for 11-anthracen-9-ylnaphtho[2,1-b][1]benzofuran?
The canonical SMILES for 11-anthracen-9-ylnaphtho[2,1-b][1]benzofuran is c1ccc2c(-c3cccc4oc5ccc6ccccc6c5c34)c3ccccc3cc2c1.
What is the InChIKey of 11-anthracen-9-ylnaphtho[2,1-b][1]benzofuran?
The InChIKey is NLYIGGPSPHSCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18O/c1-4-11-22-19(8-1)16-17-27-29(22)30-25(14-7-15-26(30)31-27)28-23-12-5-2-9-20(23)18-21-10-3-6-13-24(21)28/h1-18H.
What are the key properties of 11-anthracen-9-ylnaphtho[2,1-b][1]benzofuran?
11-anthracen-9-ylnaphtho[2,1-b][1]benzofuran has a molecular weight of 394.47 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 11-anthracen-9-ylnaphtho[2,1-b][1]benzofuran is sourced from PubChem (CID 170209534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).