4-tert-butyl-2-[1-[4-[1-(10-tert-butylanthracen-9-yl)ethyl]phenyl]ethyl]-6-phenylphenol

C44H46O — CID 145135713

IUPAC4-tert-butyl-2-[1-[4-[1-(10-tert-butylanthracen-9-yl)ethyl]phenyl]ethyl]-6-phenylphenol
SMILESCC(c1ccc(C(C)c2c3ccccc3c(C(C)(C)C)c3ccccc23)cc1)c1cc(C(C)(C)C)cc(-c2ccccc2)c1O
InChIInChI=1S/C44H46O/c1-28(38-26-33(43(3,4)5)27-39(42(38)45)32-16-10-9-11-17-32)30-22-24-31(25-23-30)29(2)40-34-18-12-14-20-36(34)41(44(6,7)8)37-21-15-13-19-35(37)40/h9-29,45H,1-8H3
InChIKeyJWWKODSPUSWCCO-UHFFFAOYSA-N
MW590.85 g/mol
LogP12.26
Rot. Bonds5

About 4-tert-butyl-2-[1-[4-[1-(10-tert-butylanthracen-9-yl)ethyl]phenyl]ethyl]-6-phenylphenol

4-tert-butyl-2-[1-[4-[1-(10-tert-butylanthracen-9-yl)ethyl]phenyl]ethyl]-6-phenylphenol (PubChem CID 145135713) has the molecular formula C44H46O and a molecular weight of 590.85 g/mol. Its IUPAC name is 4-tert-butyl-2-[1-[4-[1-(10-tert-butylanthracen-9-yl)ethyl]phenyl]ethyl]-6-phenylphenol.

Molecular Properties

Compound Name4-tert-butyl-2-[1-[4-[1-(10-tert-butylanthracen-9-yl)ethyl]phenyl]ethyl]-6-phenylphenol
PubChem CID145135713
Molecular FormulaC44H46O
Molecular Weight590.85 g/mol
Exact Mass590.35
IUPAC Name4-tert-butyl-2-[1-[4-[1-(10-tert-butylanthracen-9-yl)ethyl]phenyl]ethyl]-6-phenylphenol
SMILESCC(c1ccc(C(C)c2c3ccccc3c(C(C)(C)C)c3ccccc23)cc1)c1cc(C(C)(C)C)cc(-c2ccccc2)c1O
InChIInChI=1S/C44H46O/c1-28(38-26-33(43(3,4)5)27-39(42(38)45)32-16-10-9-11-17-32)30-22-24-31(25-23-30)29(2)40-34-18-12-14-20-36(34)41(44(6,7)8)37-21-15-13-19-35(37)40/h9-29,45H,1-8H3
InChIKeyJWWKODSPUSWCCO-UHFFFAOYSA-N
XLogP12.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.85
LogP ≤ 512.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[1-[4-[1-(10-tert-butylanthracen-9-yl)ethyl]phenyl]ethyl]-6-phenylphenol?
The IUPAC name of 4-tert-butyl-2-[1-[4-[1-(10-tert-butylanthracen-9-yl)ethyl]phenyl]ethyl]-6-phenylphenol (CID 145135713) is 4-tert-butyl-2-[1-[4-[1-(10-tert-butylanthracen-9-yl)ethyl]phenyl]ethyl]-6-phenylphenol.
What is the SMILES notation for 4-tert-butyl-2-[1-[4-[1-(10-tert-butylanthracen-9-yl)ethyl]phenyl]ethyl]-6-phenylphenol?
The canonical SMILES for 4-tert-butyl-2-[1-[4-[1-(10-tert-butylanthracen-9-yl)ethyl]phenyl]ethyl]-6-phenylphenol is CC(c1ccc(C(C)c2c3ccccc3c(C(C)(C)C)c3ccccc23)cc1)c1cc(C(C)(C)C)cc(-c2ccccc2)c1O.
What is the InChIKey of 4-tert-butyl-2-[1-[4-[1-(10-tert-butylanthracen-9-yl)ethyl]phenyl]ethyl]-6-phenylphenol?
The InChIKey is JWWKODSPUSWCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H46O/c1-28(38-26-33(43(3,4)5)27-39(42(38)45)32-16-10-9-11-17-32)30-22-24-31(25-23-30)29(2)40-34-18-12-14-20-36(34)41(44(6,7)8)37-21-15-13-19-35(37)40/h9-29,45H,1-8H3.
What are the key properties of 4-tert-butyl-2-[1-[4-[1-(10-tert-butylanthracen-9-yl)ethyl]phenyl]ethyl]-6-phenylphenol?
4-tert-butyl-2-[1-[4-[1-(10-tert-butylanthracen-9-yl)ethyl]phenyl]ethyl]-6-phenylphenol has a molecular weight of 590.85 g/mol, XLogP of 12.26, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[1-[4-[1-(10-tert-butylanthracen-9-yl)ethyl]phenyl]ethyl]-6-phenylphenol is sourced from PubChem (CID 145135713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).