6,11-bis(2,6-dimethoxyphenyl)tetracene-5,12-diol

C34H28O6 — CID 132568978

IUPAC6,11-bis(2,6-dimethoxyphenyl)tetracene-5,12-diol
SMILESCOc1cccc(OC)c1-c1c2ccccc2c(-c2c(OC)cccc2OC)c2c(O)c3ccccc3c(O)c12
InChIInChI=1S/C34H28O6/c1-37-23-15-9-16-24(38-2)29(23)27-19-11-5-6-12-20(19)28(30-25(39-3)17-10-18-26(30)40-4)32-31(27)33(35)21-13-7-8-14-22(21)34(32)36/h5-18,35-36H,1-4H3
InChIKeyPQYLYDFFJMSPHR-UHFFFAOYSA-N
MW532.59 g/mol
LogP7.93
Rot. Bonds6

About 6,11-bis(2,6-dimethoxyphenyl)tetracene-5,12-diol

6,11-bis(2,6-dimethoxyphenyl)tetracene-5,12-diol (PubChem CID 132568978) has the molecular formula C34H28O6 and a molecular weight of 532.59 g/mol. Its IUPAC name is 6,11-bis(2,6-dimethoxyphenyl)tetracene-5,12-diol.

Molecular Properties

Compound Name6,11-bis(2,6-dimethoxyphenyl)tetracene-5,12-diol
PubChem CID132568978
Molecular FormulaC34H28O6
Molecular Weight532.59 g/mol
Exact Mass532.19
IUPAC Name6,11-bis(2,6-dimethoxyphenyl)tetracene-5,12-diol
SMILESCOc1cccc(OC)c1-c1c2ccccc2c(-c2c(OC)cccc2OC)c2c(O)c3ccccc3c(O)c12
InChIInChI=1S/C34H28O6/c1-37-23-15-9-16-24(38-2)29(23)27-19-11-5-6-12-20(19)28(30-25(39-3)17-10-18-26(30)40-4)32-31(27)33(35)21-13-7-8-14-22(21)34(32)36/h5-18,35-36H,1-4H3
InChIKeyPQYLYDFFJMSPHR-UHFFFAOYSA-N
XLogP7.93
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.59
LogP ≤ 57.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethoxynaphthalen-1-ol
CID 12563547
1-methoxy-9,10-diphenylphenanthrene
CID 11439822
2,6-Dimethoxy-phenol boronic acid
CID 68597712
methanol;1-methoxynaphthalene;neptunium
CID 157299455
phenol;1,2,3-trimethoxybenzene
CID 174871155
azane;2-methoxyphenol
CID 172717837
1,3-dimethoxy-2-phenylbenzene;hydrochloride
CID 175871248
3-methoxy-2-(2-methylphenyl)phenol
CID 122691974
8-methoxy-3-methyl-4-phenylnaphthalen-1-ol
CID 101420154
ethane;1-(2-hydroxy-3-methoxyphenyl)naphthalen-2-ol
CID 144695247
4-methoxyhexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3(8),4,6,9,11,13,16,18,20(24),21-dodecaen-17-ol
CID 177433855
2-(2-hydroxyethyl)-5-methoxynaphthalen-1-ol
CID 117310764

Frequently Asked Questions

What is the IUPAC name of 6,11-bis(2,6-dimethoxyphenyl)tetracene-5,12-diol?
The IUPAC name of 6,11-bis(2,6-dimethoxyphenyl)tetracene-5,12-diol (CID 132568978) is 6,11-bis(2,6-dimethoxyphenyl)tetracene-5,12-diol.
What is the SMILES notation for 6,11-bis(2,6-dimethoxyphenyl)tetracene-5,12-diol?
The canonical SMILES for 6,11-bis(2,6-dimethoxyphenyl)tetracene-5,12-diol is COc1cccc(OC)c1-c1c2ccccc2c(-c2c(OC)cccc2OC)c2c(O)c3ccccc3c(O)c12.
What is the InChIKey of 6,11-bis(2,6-dimethoxyphenyl)tetracene-5,12-diol?
The InChIKey is PQYLYDFFJMSPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28O6/c1-37-23-15-9-16-24(38-2)29(23)27-19-11-5-6-12-20(19)28(30-25(39-3)17-10-18-26(30)40-4)32-31(27)33(35)21-13-7-8-14-22(21)34(32)36/h5-18,35-36H,1-4H3.
What are the key properties of 6,11-bis(2,6-dimethoxyphenyl)tetracene-5,12-diol?
6,11-bis(2,6-dimethoxyphenyl)tetracene-5,12-diol has a molecular weight of 532.59 g/mol, XLogP of 7.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,11-bis(2,6-dimethoxyphenyl)tetracene-5,12-diol is sourced from PubChem (CID 132568978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).