2-[10-(4-tert-butylphenyl)anthracen-9-yl]-7-naphthalen-1-yldibenzofuran

C46H34O — CID 146606998

IUPAC2-[10-(4-tert-butylphenyl)anthracen-9-yl]-7-naphthalen-1-yldibenzofuran
SMILESCC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccc4oc5cc(-c6cccc7ccccc67)ccc5c4c3)c3ccccc23)cc1
InChIInChI=1S/C46H34O/c1-46(2,3)33-23-19-30(20-24-33)44-37-14-6-8-16-39(37)45(40-17-9-7-15-38(40)44)32-22-26-42-41(27-32)36-25-21-31(28-43(36)47-42)35-18-10-12-29-11-4-5-13-34(29)35/h4-28H,1-3H3
InChIKeyGLNLGNIBTCAJKN-UHFFFAOYSA-N
MW602.78 g/mol
LogP13.34
Rot. Bonds3

About 2-[10-(4-tert-butylphenyl)anthracen-9-yl]-7-naphthalen-1-yldibenzofuran

2-[10-(4-tert-butylphenyl)anthracen-9-yl]-7-naphthalen-1-yldibenzofuran (PubChem CID 146606998) has the molecular formula C46H34O and a molecular weight of 602.78 g/mol. Its IUPAC name is 2-[10-(4-tert-butylphenyl)anthracen-9-yl]-7-naphthalen-1-yldibenzofuran.

Molecular Properties

Compound Name2-[10-(4-tert-butylphenyl)anthracen-9-yl]-7-naphthalen-1-yldibenzofuran
PubChem CID146606998
Molecular FormulaC46H34O
Molecular Weight602.78 g/mol
Exact Mass602.26
IUPAC Name2-[10-(4-tert-butylphenyl)anthracen-9-yl]-7-naphthalen-1-yldibenzofuran
SMILESCC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccc4oc5cc(-c6cccc7ccccc67)ccc5c4c3)c3ccccc23)cc1
InChIInChI=1S/C46H34O/c1-46(2,3)33-23-19-30(20-24-33)44-37-14-6-8-16-39(37)45(40-17-9-7-15-38(40)44)32-22-26-42-41(27-32)36-25-21-31(28-43(36)47-42)35-18-10-12-29-11-4-5-13-34(29)35/h4-28H,1-3H3
InChIKeyGLNLGNIBTCAJKN-UHFFFAOYSA-N
XLogP13.34
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.78
LogP ≤ 513.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[10-(4-tert-butylphenyl)anthracen-9-yl]-7-naphthalen-1-yldibenzofuran
CID 58991761
2-(10-dibenzofuran-2-yl-3-phenylanthracen-9-yl)-7-naphthalen-1-yldibenzofuran
CID 168795842
2-naphthalen-1-yl-7-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)dibenzofuran
CID 168795775
2-(2,10-dinaphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 58322991
2-[10-(3-tert-butyl-1-benzofuran-2-yl)-2-naphthalen-1-ylanthracen-9-yl]dibenzofuran
CID 177094733
2-[6-dibenzofuran-2-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracen-2-yl]dibenzofuran
CID 143914037
2-[4-[4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]phenyl]dibenzofuran
CID 59866524
2-(10-naphthalen-2-ylanthracen-9-yl)-8-phenanthren-1-yldibenzofuran
CID 58194464
2-[4-(3-naphthalen-1-yl-10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
CID 58323246
2-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58536122
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 58151301
2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 159962992

Frequently Asked Questions

What is the IUPAC name of 2-[10-(4-tert-butylphenyl)anthracen-9-yl]-7-naphthalen-1-yldibenzofuran?
The IUPAC name of 2-[10-(4-tert-butylphenyl)anthracen-9-yl]-7-naphthalen-1-yldibenzofuran (CID 146606998) is 2-[10-(4-tert-butylphenyl)anthracen-9-yl]-7-naphthalen-1-yldibenzofuran.
What is the SMILES notation for 2-[10-(4-tert-butylphenyl)anthracen-9-yl]-7-naphthalen-1-yldibenzofuran?
The canonical SMILES for 2-[10-(4-tert-butylphenyl)anthracen-9-yl]-7-naphthalen-1-yldibenzofuran is CC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccc4oc5cc(-c6cccc7ccccc67)ccc5c4c3)c3ccccc23)cc1.
What is the InChIKey of 2-[10-(4-tert-butylphenyl)anthracen-9-yl]-7-naphthalen-1-yldibenzofuran?
The InChIKey is GLNLGNIBTCAJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34O/c1-46(2,3)33-23-19-30(20-24-33)44-37-14-6-8-16-39(37)45(40-17-9-7-15-38(40)44)32-22-26-42-41(27-32)36-25-21-31(28-43(36)47-42)35-18-10-12-29-11-4-5-13-34(29)35/h4-28H,1-3H3.
What are the key properties of 2-[10-(4-tert-butylphenyl)anthracen-9-yl]-7-naphthalen-1-yldibenzofuran?
2-[10-(4-tert-butylphenyl)anthracen-9-yl]-7-naphthalen-1-yldibenzofuran has a molecular weight of 602.78 g/mol, XLogP of 13.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(4-tert-butylphenyl)anthracen-9-yl]-7-naphthalen-1-yldibenzofuran is sourced from PubChem (CID 146606998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).