9,10-bis(3,5-dimethoxyphenyl)anthracene

C30H26O4 — CID 11961931

IUPAC9,10-bis(3,5-dimethoxyphenyl)anthracene
SMILESCOc1cc(OC)cc(-c2c3ccccc3c(-c3cc(OC)cc(OC)c3)c3ccccc23)c1
InChIInChI=1S/C30H26O4/c1-31-21-13-19(14-22(17-21)32-2)29-25-9-5-7-11-27(25)30(28-12-8-6-10-26(28)29)20-15-23(33-3)18-24(16-20)34-4/h5-18H,1-4H3
InChIKeyANNLXUDHOREGON-UHFFFAOYSA-N
MW450.53 g/mol
LogP7.36
Rot. Bonds6

About 9,10-bis(3,5-dimethoxyphenyl)anthracene

9,10-bis(3,5-dimethoxyphenyl)anthracene (PubChem CID 11961931) has the molecular formula C30H26O4 and a molecular weight of 450.53 g/mol. Its IUPAC name is 9,10-bis(3,5-dimethoxyphenyl)anthracene.

Molecular Properties

Compound Name9,10-bis(3,5-dimethoxyphenyl)anthracene
PubChem CID11961931
Molecular FormulaC30H26O4
Molecular Weight450.53 g/mol
Exact Mass450.18
IUPAC Name9,10-bis(3,5-dimethoxyphenyl)anthracene
SMILESCOc1cc(OC)cc(-c2c3ccccc3c(-c3cc(OC)cc(OC)c3)c3ccccc23)c1
InChIInChI=1S/C30H26O4/c1-31-21-13-19(14-22(17-21)32-2)29-25-9-5-7-11-27(25)30(28-12-8-6-10-26(28)29)20-15-23(33-3)18-24(16-20)34-4/h5-18H,1-4H3
InChIKeyANNLXUDHOREGON-UHFFFAOYSA-N
XLogP7.36
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.53
LogP ≤ 57.36
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

1,4-bis(3,5-dimethoxyphenyl)-2,3,5,6-tetraphenylbenzene
CID 102293642
1-[4-(3,5-dimethoxyphenyl)phenyl]-3,5-dimethoxybenzene
CID 139197183
1,3-dimethoxy-5-phenylbenzene
CID 11469945
3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1-benzofuran
CID 71608239
3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1-benzothiophene
CID 71608240
9-(2-methoxyphenyl)-10-(4-methoxyphenyl)anthracene
CID 11523963
9-(4-methoxyphenyl)-10-[4-(trifluoromethyl)phenyl]anthracene
CID 122370617
9-(7-methoxy-9,9-dimethylfluoren-2-yl)-10-[7-[10-(7-methoxy-9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene
CID 20822065
2,6,9,10-tetrakis(4-methoxyphenyl)anthracene
CID 139177810
1,3-dimethoxy-5-(2-methylphenyl)benzene
CID 86038743
4-(3,5-dimethoxyphenyl)-1H-benzo[f][2]benzofuran-3-one
CID 25058711
3-methoxy-9-(4-methylphenyl)-10-phenylphenanthrene
CID 154708061

Frequently Asked Questions

What is the IUPAC name of 9,10-bis(3,5-dimethoxyphenyl)anthracene?
The IUPAC name of 9,10-bis(3,5-dimethoxyphenyl)anthracene (CID 11961931) is 9,10-bis(3,5-dimethoxyphenyl)anthracene.
What is the SMILES notation for 9,10-bis(3,5-dimethoxyphenyl)anthracene?
The canonical SMILES for 9,10-bis(3,5-dimethoxyphenyl)anthracene is COc1cc(OC)cc(-c2c3ccccc3c(-c3cc(OC)cc(OC)c3)c3ccccc23)c1.
What is the InChIKey of 9,10-bis(3,5-dimethoxyphenyl)anthracene?
The InChIKey is ANNLXUDHOREGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26O4/c1-31-21-13-19(14-22(17-21)32-2)29-25-9-5-7-11-27(25)30(28-12-8-6-10-26(28)29)20-15-23(33-3)18-24(16-20)34-4/h5-18H,1-4H3.
What are the key properties of 9,10-bis(3,5-dimethoxyphenyl)anthracene?
9,10-bis(3,5-dimethoxyphenyl)anthracene has a molecular weight of 450.53 g/mol, XLogP of 7.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis(3,5-dimethoxyphenyl)anthracene is sourced from PubChem (CID 11961931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).