11-(3-benzo[a]anthracen-7-yl-5-phenylphenyl)naphtho[2,1-b][1]benzofuran

C46H28O — CID 177072144

IUPAC11-(3-benzo[a]anthracen-7-yl-5-phenylphenyl)naphtho[2,1-b][1]benzofuran
SMILESc1ccc(-c2cc(-c3c4ccccc4cc4c3ccc3ccccc34)cc(-c3cccc4oc5ccc6ccccc6c5c34)c2)cc1
InChIInChI=1S/C46H28O/c1-2-11-29(12-3-1)33-25-34(39-19-10-20-42-46(39)45-37-17-8-5-14-31(37)22-24-43(45)47-42)27-35(26-33)44-38-18-9-6-15-32(38)28-41-36-16-7-4-13-30(36)21-23-40(41)44/h1-28H
InChIKeyZMAZKLYCVGIGQY-UHFFFAOYSA-N
MW596.73 g/mol
LogP13.20
Rot. Bonds3

About 11-(3-benzo[a]anthracen-7-yl-5-phenylphenyl)naphtho[2,1-b][1]benzofuran

11-(3-benzo[a]anthracen-7-yl-5-phenylphenyl)naphtho[2,1-b][1]benzofuran (PubChem CID 177072144) has the molecular formula C46H28O and a molecular weight of 596.73 g/mol. Its IUPAC name is 11-(3-benzo[a]anthracen-7-yl-5-phenylphenyl)naphtho[2,1-b][1]benzofuran.

Molecular Properties

Compound Name11-(3-benzo[a]anthracen-7-yl-5-phenylphenyl)naphtho[2,1-b][1]benzofuran
PubChem CID177072144
Molecular FormulaC46H28O
Molecular Weight596.73 g/mol
Exact Mass596.21
IUPAC Name11-(3-benzo[a]anthracen-7-yl-5-phenylphenyl)naphtho[2,1-b][1]benzofuran
SMILESc1ccc(-c2cc(-c3c4ccccc4cc4c3ccc3ccccc34)cc(-c3cccc4oc5ccc6ccccc6c5c34)c2)cc1
InChIInChI=1S/C46H28O/c1-2-11-29(12-3-1)33-25-34(39-19-10-20-42-46(39)45-37-17-8-5-14-31(37)22-24-43(45)47-42)27-35(26-33)44-38-18-9-6-15-32(38)28-41-36-16-7-4-13-30(36)21-23-40(41)44/h1-28H
InChIKeyZMAZKLYCVGIGQY-UHFFFAOYSA-N
XLogP13.20
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.73
LogP ≤ 513.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 11-(3-benzo[a]anthracen-7-yl-5-phenylphenyl)naphtho[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-[3-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran
CID 155201319
11-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 155201324
11-benzo[a]anthracen-2-ylnaphtho[2,1-b][1]benzofuran
CID 177072140
4-[3-(9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-4-yl)-5-phenylphenyl]-2,6-diphenylpyrimidine
CID 171583909
11-anthracen-9-ylnaphtho[2,1-b][1]benzofuran
CID 170209534
6-[3-(10-phenanthren-2-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene
CID 162711995
7-(3,5-dinaphthalen-2-ylphenyl)benzo[a]anthracene;7-(3-naphthalen-2-ylphenyl)benzo[a]anthracene;7-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]benzo[a]anthracene;7-(3-naphthalen-2-yl-5-phenylphenyl)benzo[a]anthracene
CID 158288300
11-[3-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran
CID 155205149
11-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 130190182
5-naphtho[2,1-b][1]benzofuran-11-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine;5-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine
CID 159428411
1-phenanthren-2-yl-9-(10-phenylanthracen-9-yl)dibenzofuran;7-phenanthren-9-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;8-phenanthren-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 158243132

Frequently Asked Questions

What is the IUPAC name of 11-(3-benzo[a]anthracen-7-yl-5-phenylphenyl)naphtho[2,1-b][1]benzofuran?
The IUPAC name of 11-(3-benzo[a]anthracen-7-yl-5-phenylphenyl)naphtho[2,1-b][1]benzofuran (CID 177072144) is 11-(3-benzo[a]anthracen-7-yl-5-phenylphenyl)naphtho[2,1-b][1]benzofuran.
What is the SMILES notation for 11-(3-benzo[a]anthracen-7-yl-5-phenylphenyl)naphtho[2,1-b][1]benzofuran?
The canonical SMILES for 11-(3-benzo[a]anthracen-7-yl-5-phenylphenyl)naphtho[2,1-b][1]benzofuran is c1ccc(-c2cc(-c3c4ccccc4cc4c3ccc3ccccc34)cc(-c3cccc4oc5ccc6ccccc6c5c34)c2)cc1.
What is the InChIKey of 11-(3-benzo[a]anthracen-7-yl-5-phenylphenyl)naphtho[2,1-b][1]benzofuran?
The InChIKey is ZMAZKLYCVGIGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28O/c1-2-11-29(12-3-1)33-25-34(39-19-10-20-42-46(39)45-37-17-8-5-14-31(37)22-24-43(45)47-42)27-35(26-33)44-38-18-9-6-15-32(38)28-41-36-16-7-4-13-30(36)21-23-40(41)44/h1-28H.
What are the key properties of 11-(3-benzo[a]anthracen-7-yl-5-phenylphenyl)naphtho[2,1-b][1]benzofuran?
11-(3-benzo[a]anthracen-7-yl-5-phenylphenyl)naphtho[2,1-b][1]benzofuran has a molecular weight of 596.73 g/mol, XLogP of 13.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(3-benzo[a]anthracen-7-yl-5-phenylphenyl)naphtho[2,1-b][1]benzofuran is sourced from PubChem (CID 177072144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).