2,3-bis(4-tert-butylphenyl)anthracene-9,10-dione

C34H32O2 — CID 135067467

IUPAC2,3-bis(4-tert-butylphenyl)anthracene-9,10-dione
SMILESCC(C)(C)c1ccc(-c2cc3c(cc2-c2ccc(C(C)(C)C)cc2)C(=O)c2ccccc2C3=O)cc1
InChIInChI=1S/C34H32O2/c1-33(2,3)23-15-11-21(12-16-23)27-19-29-30(32(36)26-10-8-7-9-25(26)31(29)35)20-28(27)22-13-17-24(18-14-22)34(4,5)6/h7-20H,1-6H3
InChIKeyYPKUXZJHDZTKAC-UHFFFAOYSA-N
MW472.63 g/mol
LogP8.39
Rot. Bonds2

About 2,3-bis(4-tert-butylphenyl)anthracene-9,10-dione

2,3-bis(4-tert-butylphenyl)anthracene-9,10-dione (PubChem CID 135067467) has the molecular formula C34H32O2 and a molecular weight of 472.63 g/mol. Its IUPAC name is 2,3-bis(4-tert-butylphenyl)anthracene-9,10-dione.

Molecular Properties

Compound Name2,3-bis(4-tert-butylphenyl)anthracene-9,10-dione
PubChem CID135067467
Molecular FormulaC34H32O2
Molecular Weight472.63 g/mol
Exact Mass472.24
IUPAC Name2,3-bis(4-tert-butylphenyl)anthracene-9,10-dione
SMILESCC(C)(C)c1ccc(-c2cc3c(cc2-c2ccc(C(C)(C)C)cc2)C(=O)c2ccccc2C3=O)cc1
InChIInChI=1S/C34H32O2/c1-33(2,3)23-15-11-21(12-16-23)27-19-29-30(32(36)26-10-8-7-9-25(26)31(29)35)20-28(27)22-13-17-24(18-14-22)34(4,5)6/h7-20H,1-6H3
InChIKeyYPKUXZJHDZTKAC-UHFFFAOYSA-N
XLogP8.39
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.63
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

2,3-diphenylfluoren-9-one
CID 102493574
2-(4-tert-butylphenyl)benzenethiol
CID 22566543
2,6-bis[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]anthracene-9,10-dione
CID 157366555
3-(4-tert-butylphenyl)-2-(trifluoromethylsulfanyl)inden-1-one
CID 132849601
2-(9-oxofluoren-2-yl)fluoren-9-one
CID 86119721
1,4-bis(4-tert-butylphenyl)naphthalene
CID 123481845
1-tert-butyl-4-(2-iodophenyl)benzene
CID 22914033
[2-(4-tert-butylphenyl)phenyl]phosphane
CID 58067255
2-[5-(5-tert-butylthiophen-2-yl)thiophen-2-yl]anthracene-9,10-dione
CID 170961016
1,4-dimethylanthracene-9,10-dione;2,3-dimethylanthracene-9,10-dione
CID 158117057
2,3-bis(3-methylphenyl)fluoren-9-one
CID 102493573
1,6-bis(4-tert-butylphenyl)-3,8-bis(4-naphthalen-1-ylphenyl)pyrene
CID 59391221

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-tert-butylphenyl)anthracene-9,10-dione?
The IUPAC name of 2,3-bis(4-tert-butylphenyl)anthracene-9,10-dione (CID 135067467) is 2,3-bis(4-tert-butylphenyl)anthracene-9,10-dione.
What is the SMILES notation for 2,3-bis(4-tert-butylphenyl)anthracene-9,10-dione?
The canonical SMILES for 2,3-bis(4-tert-butylphenyl)anthracene-9,10-dione is CC(C)(C)c1ccc(-c2cc3c(cc2-c2ccc(C(C)(C)C)cc2)C(=O)c2ccccc2C3=O)cc1.
What is the InChIKey of 2,3-bis(4-tert-butylphenyl)anthracene-9,10-dione?
The InChIKey is YPKUXZJHDZTKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32O2/c1-33(2,3)23-15-11-21(12-16-23)27-19-29-30(32(36)26-10-8-7-9-25(26)31(29)35)20-28(27)22-13-17-24(18-14-22)34(4,5)6/h7-20H,1-6H3.
What are the key properties of 2,3-bis(4-tert-butylphenyl)anthracene-9,10-dione?
2,3-bis(4-tert-butylphenyl)anthracene-9,10-dione has a molecular weight of 472.63 g/mol, XLogP of 8.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-tert-butylphenyl)anthracene-9,10-dione is sourced from PubChem (CID 135067467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).