2-(2,6-ditert-butyl-10-phenylanthracen-9-yl)dibenzofuran

C40H36O — CID 134486680

IUPAC2-(2,6-ditert-butyl-10-phenylanthracen-9-yl)dibenzofuran
SMILESCC(C)(C)c1ccc2c(-c3ccc4oc5ccccc5c4c3)c3cc(C(C)(C)C)ccc3c(-c3ccccc3)c2c1
InChIInChI=1S/C40H36O/c1-39(2,3)27-18-20-31-33(23-27)37(25-12-8-7-9-13-25)30-19-17-28(40(4,5)6)24-34(30)38(31)26-16-21-36-32(22-26)29-14-10-11-15-35(29)41-36/h7-24H,1-6H3
InChIKeySTHWYDODTQAATO-UHFFFAOYSA-N
MW532.73 g/mol
LogP11.82
Rot. Bonds2

About 2-(2,6-ditert-butyl-10-phenylanthracen-9-yl)dibenzofuran

2-(2,6-ditert-butyl-10-phenylanthracen-9-yl)dibenzofuran (PubChem CID 134486680) has the molecular formula C40H36O and a molecular weight of 532.73 g/mol. Its IUPAC name is 2-(2,6-ditert-butyl-10-phenylanthracen-9-yl)dibenzofuran.

Molecular Properties

Compound Name2-(2,6-ditert-butyl-10-phenylanthracen-9-yl)dibenzofuran
PubChem CID134486680
Molecular FormulaC40H36O
Molecular Weight532.73 g/mol
Exact Mass532.28
IUPAC Name2-(2,6-ditert-butyl-10-phenylanthracen-9-yl)dibenzofuran
SMILESCC(C)(C)c1ccc2c(-c3ccc4oc5ccccc5c4c3)c3cc(C(C)(C)C)ccc3c(-c3ccccc3)c2c1
InChIInChI=1S/C40H36O/c1-39(2,3)27-18-20-31-33(23-27)37(25-12-8-7-9-13-25)30-19-17-28(40(4,5)6)24-34(30)38(31)26-16-21-36-32(22-26)29-14-10-11-15-35(29)41-36/h7-24H,1-6H3
InChIKeySTHWYDODTQAATO-UHFFFAOYSA-N
XLogP11.82
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.73
LogP ≤ 511.82
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

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
2-(6-tert-butyl-11-dibenzofuran-2-yltriphenylen-2-yl)dibenzofuran
CID 144568487
2-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 135208803
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
2-[2,6,10-tri(dibenzofuran-2-yl)anthracen-9-yl]dibenzofuran
CID 143933892
7-[7-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122415848
2-[3-(9,10-diphenylanthracen-2-yl)-5-(3-phenylphenyl)phenyl]dibenzofuran
CID 58261864
7-(9,10-diphenylanthracen-2-yl)-2-phenyldibenzofuran
CID 168795741
2-(10-dibenzofuran-3-ylanthracen-9-yl)dibenzofuran
CID 135208637
7-(10-phenylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122425853
2-[10-(4-tert-butylphenyl)anthracen-9-yl]-7-naphthalen-1-yldibenzofuran
CID 146606998
2-(10-phenanthren-9-yl-2-phenylanthracen-9-yl)dibenzofuran
CID 58323704

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-ditert-butyl-10-phenylanthracen-9-yl)dibenzofuran?
The IUPAC name of 2-(2,6-ditert-butyl-10-phenylanthracen-9-yl)dibenzofuran (CID 134486680) is 2-(2,6-ditert-butyl-10-phenylanthracen-9-yl)dibenzofuran.
What is the SMILES notation for 2-(2,6-ditert-butyl-10-phenylanthracen-9-yl)dibenzofuran?
The canonical SMILES for 2-(2,6-ditert-butyl-10-phenylanthracen-9-yl)dibenzofuran is CC(C)(C)c1ccc2c(-c3ccc4oc5ccccc5c4c3)c3cc(C(C)(C)C)ccc3c(-c3ccccc3)c2c1.
What is the InChIKey of 2-(2,6-ditert-butyl-10-phenylanthracen-9-yl)dibenzofuran?
The InChIKey is STHWYDODTQAATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H36O/c1-39(2,3)27-18-20-31-33(23-27)37(25-12-8-7-9-13-25)30-19-17-28(40(4,5)6)24-34(30)38(31)26-16-21-36-32(22-26)29-14-10-11-15-35(29)41-36/h7-24H,1-6H3.
What are the key properties of 2-(2,6-ditert-butyl-10-phenylanthracen-9-yl)dibenzofuran?
2-(2,6-ditert-butyl-10-phenylanthracen-9-yl)dibenzofuran has a molecular weight of 532.73 g/mol, XLogP of 11.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-ditert-butyl-10-phenylanthracen-9-yl)dibenzofuran is sourced from PubChem (CID 134486680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).