4-[9-(4-tert-butylphenyl)-10-dibenzofuran-4-ylanthracen-2-yl]dibenzofuran

C48H34O2 — CID 58991734

IUPAC4-[9-(4-tert-butylphenyl)-10-dibenzofuran-4-ylanthracen-2-yl]dibenzofuran
SMILESCC(C)(C)c1ccc(-c2c3ccccc3c(-c3cccc4c3oc3ccccc34)c3ccc(-c4cccc5c4oc4ccccc45)cc23)cc1
InChIInChI=1S/C48H34O2/c1-48(2,3)31-25-22-29(23-26-31)44-35-14-4-5-15-36(35)45(40-19-11-18-39-34-13-7-9-21-43(34)50-47(39)40)37-27-24-30(28-41(37)44)32-16-10-17-38-33-12-6-8-20-42(33)49-46(32)38/h4-28H,1-3H3
InChIKeyKGDXKBVQRBBPNA-UHFFFAOYSA-N
MW642.80 g/mol
LogP14.09
Rot. Bonds3

About 4-[9-(4-tert-butylphenyl)-10-dibenzofuran-4-ylanthracen-2-yl]dibenzofuran

4-[9-(4-tert-butylphenyl)-10-dibenzofuran-4-ylanthracen-2-yl]dibenzofuran (PubChem CID 58991734) has the molecular formula C48H34O2 and a molecular weight of 642.80 g/mol. Its IUPAC name is 4-[9-(4-tert-butylphenyl)-10-dibenzofuran-4-ylanthracen-2-yl]dibenzofuran.

Molecular Properties

Compound Name4-[9-(4-tert-butylphenyl)-10-dibenzofuran-4-ylanthracen-2-yl]dibenzofuran
PubChem CID58991734
Molecular FormulaC48H34O2
Molecular Weight642.80 g/mol
Exact Mass642.26
IUPAC Name4-[9-(4-tert-butylphenyl)-10-dibenzofuran-4-ylanthracen-2-yl]dibenzofuran
SMILESCC(C)(C)c1ccc(-c2c3ccccc3c(-c3cccc4c3oc3ccccc34)c3ccc(-c4cccc5c4oc4ccccc45)cc23)cc1
InChIInChI=1S/C48H34O2/c1-48(2,3)31-25-22-29(23-26-31)44-35-14-4-5-15-36(35)45(40-19-11-18-39-34-13-7-9-21-43(34)50-47(39)40)37-27-24-30(28-41(37)44)32-16-10-17-38-33-12-6-8-20-42(33)49-46(32)38/h4-28H,1-3H3
InChIKeyKGDXKBVQRBBPNA-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'}

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Related Compounds

4-[6-dibenzofuran-4-yl-9,10-bis(4-methylphenyl)anthracen-2-yl]dibenzofuran
CID 58991809
4-(9,10-diphenylanthracen-2-yl)dibenzofuran
CID 58991794
4-(10-tert-butyl-7-dibenzofuran-4-yltriphenylen-2-yl)dibenzofuran
CID 144568505
4-[3-(6-methyl-9,10-diphenylanthracen-2-yl)phenyl]dibenzofuran
CID 58262030
3-(10-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran
CID 58991746
2-tert-butyl-6-[3-(9,10-diphenylanthracen-2-yl)phenyl]dibenzofuran;6-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-naphthalen-2-yldibenzofuran;6-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenyldibenzofuran;6-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-(3-phenylphenyl)dibenzofuran
CID 160998426
4-[3-(9,10-diphenylanthracen-2-yl)-5-phenylphenyl]dibenzofuran
CID 58261860
2-[3-[9-(4-tert-butylphenyl)-10-phenylanthracen-2-yl]phenyl]dibenzofuran;2-[3-(9,10-diphenylanthracen-2-yl)phenyl]dibenzofuran;2-[3-[9-(4-methylphenyl)-10-phenylanthracen-2-yl]phenyl]dibenzofuran
CID 161222040
4-(3-naphthalen-1-yl-10-phenanthren-9-ylanthracen-9-yl)dibenzofuran
CID 58323221
4-[3-[6-(4-tert-butylphenyl)pyren-1-yl]phenyl]dibenzofuran
CID 58273611
ethane;4-[4-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 143986146
4-(3-tert-butyl-5-dibenzofuran-4-ylphenyl)dibenzofuran
CID 170133663

Frequently Asked Questions

What is the IUPAC name of 4-[9-(4-tert-butylphenyl)-10-dibenzofuran-4-ylanthracen-2-yl]dibenzofuran?
The IUPAC name of 4-[9-(4-tert-butylphenyl)-10-dibenzofuran-4-ylanthracen-2-yl]dibenzofuran (CID 58991734) is 4-[9-(4-tert-butylphenyl)-10-dibenzofuran-4-ylanthracen-2-yl]dibenzofuran.
What is the SMILES notation for 4-[9-(4-tert-butylphenyl)-10-dibenzofuran-4-ylanthracen-2-yl]dibenzofuran?
The canonical SMILES for 4-[9-(4-tert-butylphenyl)-10-dibenzofuran-4-ylanthracen-2-yl]dibenzofuran is CC(C)(C)c1ccc(-c2c3ccccc3c(-c3cccc4c3oc3ccccc34)c3ccc(-c4cccc5c4oc4ccccc45)cc23)cc1.
What is the InChIKey of 4-[9-(4-tert-butylphenyl)-10-dibenzofuran-4-ylanthracen-2-yl]dibenzofuran?
The InChIKey is KGDXKBVQRBBPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34O2/c1-48(2,3)31-25-22-29(23-26-31)44-35-14-4-5-15-36(35)45(40-19-11-18-39-34-13-7-9-21-43(34)50-47(39)40)37-27-24-30(28-41(37)44)32-16-10-17-38-33-12-6-8-20-42(33)49-46(32)38/h4-28H,1-3H3.
What are the key properties of 4-[9-(4-tert-butylphenyl)-10-dibenzofuran-4-ylanthracen-2-yl]dibenzofuran?
4-[9-(4-tert-butylphenyl)-10-dibenzofuran-4-ylanthracen-2-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 4-[9-(4-tert-butylphenyl)-10-dibenzofuran-4-ylanthracen-2-yl]dibenzofuran is sourced from PubChem (CID 58991734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).