2,6,9,10-tetrakis(4-methoxyphenyl)anthracene

C42H34O4 — CID 139177810

IUPAC2,6,9,10-tetrakis(4-methoxyphenyl)anthracene
SMILESCOc1ccc(-c2ccc3c(-c4ccc(OC)cc4)c4cc(-c5ccc(OC)cc5)ccc4c(-c4ccc(OC)cc4)c3c2)cc1
InChIInChI=1S/C42H34O4/c1-43-33-15-5-27(6-16-33)31-13-23-37-39(25-31)41(29-9-19-35(45-3)20-10-29)38-24-14-32(28-7-17-34(44-2)18-8-28)26-40(38)42(37)30-11-21-36(46-4)22-12-30/h5-26H,1-4H3
InChIKeyWADQYSCPNUJJHT-UHFFFAOYSA-N
MW602.73 g/mol
LogP10.70
Rot. Bonds8

About 2,6,9,10-tetrakis(4-methoxyphenyl)anthracene

2,6,9,10-tetrakis(4-methoxyphenyl)anthracene (PubChem CID 139177810) has the molecular formula C42H34O4 and a molecular weight of 602.73 g/mol. Its IUPAC name is 2,6,9,10-tetrakis(4-methoxyphenyl)anthracene.

Molecular Properties

Compound Name2,6,9,10-tetrakis(4-methoxyphenyl)anthracene
PubChem CID139177810
Molecular FormulaC42H34O4
Molecular Weight602.73 g/mol
Exact Mass602.25
IUPAC Name2,6,9,10-tetrakis(4-methoxyphenyl)anthracene
SMILESCOc1ccc(-c2ccc3c(-c4ccc(OC)cc4)c4cc(-c5ccc(OC)cc5)ccc4c(-c4ccc(OC)cc4)c3c2)cc1
InChIInChI=1S/C42H34O4/c1-43-33-15-5-27(6-16-33)31-13-23-37-39(25-31)41(29-9-19-35(45-3)20-10-29)38-24-14-32(28-7-17-34(44-2)18-8-28)26-40(38)42(37)30-11-21-36(46-4)22-12-30/h5-26H,1-4H3
InChIKeyWADQYSCPNUJJHT-UHFFFAOYSA-N
XLogP10.70
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.73
LogP ≤ 510.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-6-(4-methoxyphenyl)-9,10-bis(4-phenylphenyl)anthracene
CID 59002256
9,10-bis(4-methoxyphenyl)-2-naphthalen-1-yl-6-naphthalen-2-ylanthracene
CID 59002245
5-(4-methoxyphenyl)indene-1,2,3-trione
CID 58803268
2-(4-methoxyphenyl)-9-naphthalen-1-yl-10-naphthalen-2-yl-6-phenylanthracene
CID 59002248
9,10-dibromo-2-(4-methoxyphenyl)anthracene
CID 59002235
2,6,9,10-tetraphenylanthracene
CID 58645118
2-methoxy-6-(4-methoxyphenyl)naphthalene
CID 11149734
2,6,9,10-tetrakis(4-phenylphenyl)anthracene
CID 123923188
2-naphthalen-2-yl-6,9,10-triphenylanthracene
CID 59342692
10-(2,4-difluorophenyl)-2,3,6-trifluoro-9-(4-methoxyphenyl)anthracene
CID 88877602
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847
9,10-bis(3,5-dimethylphenyl)-2-N,2-N,6-N,6-N-tetrakis(4-methoxyphenyl)anthracene-2,6-diamine
CID 58855173

Frequently Asked Questions

What is the IUPAC name of 2,6,9,10-tetrakis(4-methoxyphenyl)anthracene?
The IUPAC name of 2,6,9,10-tetrakis(4-methoxyphenyl)anthracene (CID 139177810) is 2,6,9,10-tetrakis(4-methoxyphenyl)anthracene.
What is the SMILES notation for 2,6,9,10-tetrakis(4-methoxyphenyl)anthracene?
The canonical SMILES for 2,6,9,10-tetrakis(4-methoxyphenyl)anthracene is COc1ccc(-c2ccc3c(-c4ccc(OC)cc4)c4cc(-c5ccc(OC)cc5)ccc4c(-c4ccc(OC)cc4)c3c2)cc1.
What is the InChIKey of 2,6,9,10-tetrakis(4-methoxyphenyl)anthracene?
The InChIKey is WADQYSCPNUJJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H34O4/c1-43-33-15-5-27(6-16-33)31-13-23-37-39(25-31)41(29-9-19-35(45-3)20-10-29)38-24-14-32(28-7-17-34(44-2)18-8-28)26-40(38)42(37)30-11-21-36(46-4)22-12-30/h5-26H,1-4H3.
What are the key properties of 2,6,9,10-tetrakis(4-methoxyphenyl)anthracene?
2,6,9,10-tetrakis(4-methoxyphenyl)anthracene has a molecular weight of 602.73 g/mol, XLogP of 10.70, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,9,10-tetrakis(4-methoxyphenyl)anthracene is sourced from PubChem (CID 139177810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).