4-[10-[4-(4-dodecylphenyl)phenyl]anthracen-9-yl]phenol

C44H46O — CID 153328373

IUPAC4-[10-[4-(4-dodecylphenyl)phenyl]anthracen-9-yl]phenol
SMILESCCCCCCCCCCCCc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(O)cc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C44H46O/c1-2-3-4-5-6-7-8-9-10-11-16-33-21-23-34(24-22-33)35-25-27-36(28-26-35)43-39-17-12-14-19-41(39)44(37-29-31-38(45)32-30-37)42-20-15-13-18-40(42)43/h12-15,17-32,45H,2-11,16H2,1H3
InChIKeyJJZGHHCVOAZUHV-UHFFFAOYSA-N
MW590.85 g/mol
LogP13.16
Rot. Bonds14

About 4-[10-[4-(4-dodecylphenyl)phenyl]anthracen-9-yl]phenol

4-[10-[4-(4-dodecylphenyl)phenyl]anthracen-9-yl]phenol (PubChem CID 153328373) has the molecular formula C44H46O and a molecular weight of 590.85 g/mol. Its IUPAC name is 4-[10-[4-(4-dodecylphenyl)phenyl]anthracen-9-yl]phenol.

Molecular Properties

Compound Name4-[10-[4-(4-dodecylphenyl)phenyl]anthracen-9-yl]phenol
PubChem CID153328373
Molecular FormulaC44H46O
Molecular Weight590.85 g/mol
Exact Mass590.35
IUPAC Name4-[10-[4-(4-dodecylphenyl)phenyl]anthracen-9-yl]phenol
SMILESCCCCCCCCCCCCc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(O)cc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C44H46O/c1-2-3-4-5-6-7-8-9-10-11-16-33-21-23-34(24-22-33)35-25-27-36(28-26-35)43-39-17-12-14-19-41(39)44(37-29-31-38(45)32-30-37)42-20-15-13-18-40(42)43/h12-15,17-32,45H,2-11,16H2,1H3
InChIKeyJJZGHHCVOAZUHV-UHFFFAOYSA-N
XLogP13.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.85
LogP ≤ 513.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9,10-bis(4-hexylphenyl)-2-phenylanthracene
CID 102232961
1,3,5-tris(4-phenylphenyl)-2,4,6-tris(4-tetradecylphenyl)benzene
CID 132609480
tris(4-octylphenol);propane
CID 90866185
CID 162318522
CID 162318522
nickel;4-octylphenol
CID 87833867
calcium;hydride;4-tetradecylphenol
CID 174582359
calcium;hydride;4-octylphenol
CID 173256756
barium(2+);hydride;4-nonylphenol
CID 173156845
1-pentadecyl-4-phenylbenzene
CID 57166115
9,10-bis[9,10-bis(4-decylphenyl)anthracen-2-yl]-2-methyl-6-[4-(4-methylphenyl)phenyl]anthracene
CID 59101775
4-[2-(4-pentylphenyl)ethyl]phenol
CID 57152203
1-octyl-4-(4-octylphenyl)benzene
CID 22766415

Frequently Asked Questions

What is the IUPAC name of 4-[10-[4-(4-dodecylphenyl)phenyl]anthracen-9-yl]phenol?
The IUPAC name of 4-[10-[4-(4-dodecylphenyl)phenyl]anthracen-9-yl]phenol (CID 153328373) is 4-[10-[4-(4-dodecylphenyl)phenyl]anthracen-9-yl]phenol.
What is the SMILES notation for 4-[10-[4-(4-dodecylphenyl)phenyl]anthracen-9-yl]phenol?
The canonical SMILES for 4-[10-[4-(4-dodecylphenyl)phenyl]anthracen-9-yl]phenol is CCCCCCCCCCCCc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(O)cc4)c4ccccc34)cc2)cc1.
What is the InChIKey of 4-[10-[4-(4-dodecylphenyl)phenyl]anthracen-9-yl]phenol?
The InChIKey is JJZGHHCVOAZUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H46O/c1-2-3-4-5-6-7-8-9-10-11-16-33-21-23-34(24-22-33)35-25-27-36(28-26-35)43-39-17-12-14-19-41(39)44(37-29-31-38(45)32-30-37)42-20-15-13-18-40(42)43/h12-15,17-32,45H,2-11,16H2,1H3.
What are the key properties of 4-[10-[4-(4-dodecylphenyl)phenyl]anthracen-9-yl]phenol?
4-[10-[4-(4-dodecylphenyl)phenyl]anthracen-9-yl]phenol has a molecular weight of 590.85 g/mol, XLogP of 13.16, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-[4-(4-dodecylphenyl)phenyl]anthracen-9-yl]phenol is sourced from PubChem (CID 153328373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).