9,10-bis(4-chlorophenyl)-2,3,6,7-tetramethoxyanthracene

C30H24Cl2O4 — CID 56602037

IUPAC9,10-bis(4-chlorophenyl)-2,3,6,7-tetramethoxyanthracene
SMILESCOc1cc2c(-c3ccc(Cl)cc3)c3cc(OC)c(OC)cc3c(-c3ccc(Cl)cc3)c2cc1OC
InChIInChI=1S/C30H24Cl2O4/c1-33-25-13-21-22(14-26(25)34-2)30(18-7-11-20(32)12-8-18)24-16-28(36-4)27(35-3)15-23(24)29(21)17-5-9-19(31)10-6-17/h5-16H,1-4H3
InChIKeyDQMBAURMKXQHNA-UHFFFAOYSA-N
MW519.42 g/mol
LogP8.67
Rot. Bonds6

About 9,10-bis(4-chlorophenyl)-2,3,6,7-tetramethoxyanthracene

9,10-bis(4-chlorophenyl)-2,3,6,7-tetramethoxyanthracene (PubChem CID 56602037) has the molecular formula C30H24Cl2O4 and a molecular weight of 519.42 g/mol. Its IUPAC name is 9,10-bis(4-chlorophenyl)-2,3,6,7-tetramethoxyanthracene.

Molecular Properties

Compound Name9,10-bis(4-chlorophenyl)-2,3,6,7-tetramethoxyanthracene
PubChem CID56602037
Molecular FormulaC30H24Cl2O4
Molecular Weight519.42 g/mol
Exact Mass518.11
IUPAC Name9,10-bis(4-chlorophenyl)-2,3,6,7-tetramethoxyanthracene
SMILESCOc1cc2c(-c3ccc(Cl)cc3)c3cc(OC)c(OC)cc3c(-c3ccc(Cl)cc3)c2cc1OC
InChIInChI=1S/C30H24Cl2O4/c1-33-25-13-21-22(14-26(25)34-2)30(18-7-11-20(32)12-8-18)24-16-28(36-4)27(35-3)15-23(24)29(21)17-5-9-19(31)10-6-17/h5-16H,1-4H3
InChIKeyDQMBAURMKXQHNA-UHFFFAOYSA-N
XLogP8.67
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.42
LogP ≤ 58.67
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

4-[10-(4-formylphenyl)-2,3,6,7-tetramethoxyanthracen-9-yl]benzaldehyde
CID 101191767
4-(4-chlorophenyl)-6,7-dimethoxyquinazolin-2-amine
CID 22626608
1-(4-chlorophenyl)-2,3,4-trimethoxybenzene
CID 57161799
1,3-dichloro-5-(4-fluoro-3-methoxyphenyl)benzene
CID 134623746
2-(4-chlorophenyl)-6,7-dimethoxy-N,N-dimethylquinazolin-4-amine
CID 22997395
3-(4-chlorophenyl)-4-(3,4,5-trimethoxyanilino)cyclobut-3-ene-1,2-dione
CID 20917268
[2-(4-chlorophenyl)-4,5-dimethoxyphenyl]methanamine
CID 54911492
1-(4-chlorophenyl)-3-(hydroxymethyl)-6,7-dimethoxynaphthalene-2-carboxylic acid
CID 139835013
1,3-dichloro-5-(4-chloro-3-methoxyphenyl)benzene
CID 118811160
2-(4-chlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid
CID 18073642
4,6-dichloro-3-[4-(4-chlorophenyl)phenyl]-7-methoxy-2-methylquinoline
CID 170432171
1-chloro-4-(4-chloro-3-methoxyphenyl)-2-methoxybenzene
CID 800758

Frequently Asked Questions

What is the IUPAC name of 9,10-bis(4-chlorophenyl)-2,3,6,7-tetramethoxyanthracene?
The IUPAC name of 9,10-bis(4-chlorophenyl)-2,3,6,7-tetramethoxyanthracene (CID 56602037) is 9,10-bis(4-chlorophenyl)-2,3,6,7-tetramethoxyanthracene.
What is the SMILES notation for 9,10-bis(4-chlorophenyl)-2,3,6,7-tetramethoxyanthracene?
The canonical SMILES for 9,10-bis(4-chlorophenyl)-2,3,6,7-tetramethoxyanthracene is COc1cc2c(-c3ccc(Cl)cc3)c3cc(OC)c(OC)cc3c(-c3ccc(Cl)cc3)c2cc1OC.
What is the InChIKey of 9,10-bis(4-chlorophenyl)-2,3,6,7-tetramethoxyanthracene?
The InChIKey is DQMBAURMKXQHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24Cl2O4/c1-33-25-13-21-22(14-26(25)34-2)30(18-7-11-20(32)12-8-18)24-16-28(36-4)27(35-3)15-23(24)29(21)17-5-9-19(31)10-6-17/h5-16H,1-4H3.
What are the key properties of 9,10-bis(4-chlorophenyl)-2,3,6,7-tetramethoxyanthracene?
9,10-bis(4-chlorophenyl)-2,3,6,7-tetramethoxyanthracene has a molecular weight of 519.42 g/mol, XLogP of 8.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis(4-chlorophenyl)-2,3,6,7-tetramethoxyanthracene is sourced from PubChem (CID 56602037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).