5-[8-tert-butyl-1-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[1,2-b][1]benzofuran

C52H36O2 — CID 167306878

IUPAC5-[8-tert-butyl-1-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[1,2-b][1]benzofuran
SMILESCC(C)(C)c1ccc2oc3cc(-c4cc5c6ccccc6oc5c5ccccc45)cc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c3c2c1
InChIInChI=1S/C52H36O2/c1-52(2,3)33-25-26-46-43(29-33)50-44(49-38-21-10-8-19-36(38)48(31-15-5-4-6-16-31)37-20-9-11-22-39(37)49)27-32(28-47(50)53-46)41-30-42-35-18-13-14-24-45(35)54-51(42)40-23-12-7-17-34(40)41/h4-30H,1-3H3
InChIKeyNLZRSQHJIINOAQ-UHFFFAOYSA-N
MW692.86 g/mol
LogP15.24
Rot. Bonds3

About 5-[8-tert-butyl-1-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[1,2-b][1]benzofuran

5-[8-tert-butyl-1-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[1,2-b][1]benzofuran (PubChem CID 167306878) has the molecular formula C52H36O2 and a molecular weight of 692.86 g/mol. Its IUPAC name is 5-[8-tert-butyl-1-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[1,2-b][1]benzofuran.

Molecular Properties

Compound Name5-[8-tert-butyl-1-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[1,2-b][1]benzofuran
PubChem CID167306878
Molecular FormulaC52H36O2
Molecular Weight692.86 g/mol
Exact Mass692.27
IUPAC Name5-[8-tert-butyl-1-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[1,2-b][1]benzofuran
SMILESCC(C)(C)c1ccc2oc3cc(-c4cc5c6ccccc6oc5c5ccccc45)cc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c3c2c1
InChIInChI=1S/C52H36O2/c1-52(2,3)33-25-26-46-43(29-33)50-44(49-38-21-10-8-19-36(38)48(31-15-5-4-6-16-31)37-20-9-11-22-39(37)49)27-32(28-47(50)53-46)41-30-42-35-18-13-14-24-45(35)54-51(42)40-23-12-7-17-34(40)41/h4-30H,1-3H3
InChIKeyNLZRSQHJIINOAQ-UHFFFAOYSA-N
XLogP15.24
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.86
LogP ≤ 515.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[8-tert-butyl-1-(10-phenylanthracen-9-yl)dibenzofuran-3-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

2-(2,6-ditert-butyl-10-phenylanthracen-9-yl)dibenzofuran
CID 134486680
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
3-phenyl-1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 170249878
3-dibenzofuran-3-yl-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 170249915
4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-12,22-dioxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 130185356
1-[1-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[2,3-b][1]benzofuran
CID 170249918
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
16-[3-(10-phenylanthracen-9-yl)phenyl]-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 130185277
8-(2-tert-butyl-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(2,6-ditert-butyl-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(3,10-diphenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
CID 158500156
5-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 134487627
3-dibenzofuran-1-yl-1-[10-(3,5-diphenylphenyl)anthracen-9-yl]dibenzofuran
CID 167306847
9-[10-[8-(10-carbazol-9-ylanthracen-9-yl)dibenzofuran-1-yl]anthracen-9-yl]carbazole;3,6-ditert-butyl-9-[10-[8-[10-(3,6-ditert-butylcarbazol-9-yl)anthracen-9-yl]dibenzofuran-1-yl]anthracen-9-yl]carbazole;9-[10-[8-[10-(3,6-diphenylcarbazol-9-yl)anthracen-9-yl]dibenzofuran-1-yl]anthracen-9-yl]-3,6-diphenylcarbazole
CID 159599118

Frequently Asked Questions

What is the IUPAC name of 5-[8-tert-butyl-1-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[1,2-b][1]benzofuran?
The IUPAC name of 5-[8-tert-butyl-1-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[1,2-b][1]benzofuran (CID 167306878) is 5-[8-tert-butyl-1-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[1,2-b][1]benzofuran.
What is the SMILES notation for 5-[8-tert-butyl-1-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[1,2-b][1]benzofuran?
The canonical SMILES for 5-[8-tert-butyl-1-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[1,2-b][1]benzofuran is CC(C)(C)c1ccc2oc3cc(-c4cc5c6ccccc6oc5c5ccccc45)cc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c3c2c1.
What is the InChIKey of 5-[8-tert-butyl-1-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[1,2-b][1]benzofuran?
The InChIKey is NLZRSQHJIINOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36O2/c1-52(2,3)33-25-26-46-43(29-33)50-44(49-38-21-10-8-19-36(38)48(31-15-5-4-6-16-31)37-20-9-11-22-39(37)49)27-32(28-47(50)53-46)41-30-42-35-18-13-14-24-45(35)54-51(42)40-23-12-7-17-34(40)41/h4-30H,1-3H3.
What are the key properties of 5-[8-tert-butyl-1-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[1,2-b][1]benzofuran?
5-[8-tert-butyl-1-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[1,2-b][1]benzofuran has a molecular weight of 692.86 g/mol, XLogP of 15.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-tert-butyl-1-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 167306878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).