2-[10-(3-tert-butyl-1-benzofuran-2-yl)-2-naphthalen-1-ylanthracen-9-yl]dibenzofuran

C48H34O2 — CID 177094733

IUPAC2-[10-(3-tert-butyl-1-benzofuran-2-yl)-2-naphthalen-1-ylanthracen-9-yl]dibenzofuran
SMILESCC(C)(C)c1c(-c2c3ccccc3c(-c3ccc4oc5ccccc5c4c3)c3cc(-c4cccc5ccccc45)ccc23)oc2ccccc12
InChIInChI=1S/C48H34O2/c1-48(2,3)46-38-19-9-11-22-42(38)50-47(46)45-36-18-7-6-17-35(36)44(31-24-26-43-39(28-31)34-16-8-10-21-41(34)49-43)40-27-30(23-25-37(40)45)33-20-12-14-29-13-4-5-15-32(29)33/h4-28H,1-3H3
InChIKeySAKWZURHQNSQFN-UHFFFAOYSA-N
MW642.80 g/mol
LogP14.09
Rot. Bonds3

About 2-[10-(3-tert-butyl-1-benzofuran-2-yl)-2-naphthalen-1-ylanthracen-9-yl]dibenzofuran

2-[10-(3-tert-butyl-1-benzofuran-2-yl)-2-naphthalen-1-ylanthracen-9-yl]dibenzofuran (PubChem CID 177094733) has the molecular formula C48H34O2 and a molecular weight of 642.80 g/mol. Its IUPAC name is 2-[10-(3-tert-butyl-1-benzofuran-2-yl)-2-naphthalen-1-ylanthracen-9-yl]dibenzofuran.

Molecular Properties

Compound Name2-[10-(3-tert-butyl-1-benzofuran-2-yl)-2-naphthalen-1-ylanthracen-9-yl]dibenzofuran
PubChem CID177094733
Molecular FormulaC48H34O2
Molecular Weight642.80 g/mol
Exact Mass642.26
IUPAC Name2-[10-(3-tert-butyl-1-benzofuran-2-yl)-2-naphthalen-1-ylanthracen-9-yl]dibenzofuran
SMILESCC(C)(C)c1c(-c2c3ccccc3c(-c3ccc4oc5ccccc5c4c3)c3cc(-c4cccc5ccccc45)ccc23)oc2ccccc12
InChIInChI=1S/C48H34O2/c1-48(2,3)46-38-19-9-11-22-42(38)50-47(46)45-36-18-7-6-17-35(36)44(31-24-26-43-39(28-31)34-16-8-10-21-41(34)49-43)40-27-30(23-25-37(40)45)33-20-12-14-29-13-4-5-15-32(29)33/h4-28H,1-3H3
InChIKeySAKWZURHQNSQFN-UHFFFAOYSA-N
XLogP14.09
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.80
LogP ≤ 514.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[10-(3-tert-butyl-1-benzofuran-2-yl)-2-naphthalen-1-ylanthracen-9-yl]dibenzofuran 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-(2,10-dinaphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 58322991
2-[6-dibenzofuran-2-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracen-2-yl]dibenzofuran
CID 143914037
2-[10-(4-tert-butylphenyl)anthracen-9-yl]-7-naphthalen-1-yldibenzofuran
CID 146606998
2-(10-dibenzofuran-2-yl-3-phenylanthracen-9-yl)-7-naphthalen-1-yldibenzofuran
CID 168795842
2-[4-(3-naphthalen-1-yl-10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
CID 58323246
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 58151301
2-[4-[4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]phenyl]dibenzofuran
CID 59866524
2-(9,10-dinaphthalen-1-ylanthracen-2-yl)dibenzofuran
CID 58322852
3-[10-(4-tert-butylphenyl)anthracen-9-yl]-7-naphthalen-1-yldibenzofuran
CID 58991761
2-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58536122
2-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 58322844
2-[10-[3-[6-[5-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-yl]phenyl]anthracen-9-yl]dibenzofuran
CID 172546696

Frequently Asked Questions

What is the IUPAC name of 2-[10-(3-tert-butyl-1-benzofuran-2-yl)-2-naphthalen-1-ylanthracen-9-yl]dibenzofuran?
The IUPAC name of 2-[10-(3-tert-butyl-1-benzofuran-2-yl)-2-naphthalen-1-ylanthracen-9-yl]dibenzofuran (CID 177094733) is 2-[10-(3-tert-butyl-1-benzofuran-2-yl)-2-naphthalen-1-ylanthracen-9-yl]dibenzofuran.
What is the SMILES notation for 2-[10-(3-tert-butyl-1-benzofuran-2-yl)-2-naphthalen-1-ylanthracen-9-yl]dibenzofuran?
The canonical SMILES for 2-[10-(3-tert-butyl-1-benzofuran-2-yl)-2-naphthalen-1-ylanthracen-9-yl]dibenzofuran is CC(C)(C)c1c(-c2c3ccccc3c(-c3ccc4oc5ccccc5c4c3)c3cc(-c4cccc5ccccc45)ccc23)oc2ccccc12.
What is the InChIKey of 2-[10-(3-tert-butyl-1-benzofuran-2-yl)-2-naphthalen-1-ylanthracen-9-yl]dibenzofuran?
The InChIKey is SAKWZURHQNSQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34O2/c1-48(2,3)46-38-19-9-11-22-42(38)50-47(46)45-36-18-7-6-17-35(36)44(31-24-26-43-39(28-31)34-16-8-10-21-41(34)49-43)40-27-30(23-25-37(40)45)33-20-12-14-29-13-4-5-15-32(29)33/h4-28H,1-3H3.
What are the key properties of 2-[10-(3-tert-butyl-1-benzofuran-2-yl)-2-naphthalen-1-ylanthracen-9-yl]dibenzofuran?
2-[10-(3-tert-butyl-1-benzofuran-2-yl)-2-naphthalen-1-ylanthracen-9-yl]dibenzofuran has a molecular weight of 642.80 g/mol, XLogP of 14.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(3-tert-butyl-1-benzofuran-2-yl)-2-naphthalen-1-ylanthracen-9-yl]dibenzofuran is sourced from PubChem (CID 177094733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).