6,7-dimethoxy-9,10-diphenyl-1,2,3,4-tetrahydroanthracene

C28H26O2 — CID 177454119

IUPAC6,7-dimethoxy-9,10-diphenyl-1,2,3,4-tetrahydroanthracene
SMILESCOc1cc2c(-c3ccccc3)c3c(c(-c4ccccc4)c2cc1OC)CCCC3
InChIInChI=1S/C28H26O2/c1-29-25-17-23-24(18-26(25)30-2)28(20-13-7-4-8-14-20)22-16-10-9-15-21(22)27(23)19-11-5-3-6-12-19/h3-8,11-14,17-18H,9-10,15-16H2,1-2H3
InChIKeyWKYMWLWGQABSSY-UHFFFAOYSA-N
MW394.51 g/mol
LogP7.07
Rot. Bonds4

About 6,7-dimethoxy-9,10-diphenyl-1,2,3,4-tetrahydroanthracene

6,7-dimethoxy-9,10-diphenyl-1,2,3,4-tetrahydroanthracene (PubChem CID 177454119) has the molecular formula C28H26O2 and a molecular weight of 394.51 g/mol. Its IUPAC name is 6,7-dimethoxy-9,10-diphenyl-1,2,3,4-tetrahydroanthracene.

Molecular Properties

Compound Name6,7-dimethoxy-9,10-diphenyl-1,2,3,4-tetrahydroanthracene
PubChem CID177454119
Molecular FormulaC28H26O2
Molecular Weight394.51 g/mol
Exact Mass394.19
IUPAC Name6,7-dimethoxy-9,10-diphenyl-1,2,3,4-tetrahydroanthracene
SMILESCOc1cc2c(-c3ccccc3)c3c(c(-c4ccccc4)c2cc1OC)CCCC3
InChIInChI=1S/C28H26O2/c1-29-25-17-23-24(18-26(25)30-2)28(20-13-7-4-8-14-20)22-16-10-9-15-21(22)27(23)19-11-5-3-6-12-19/h3-8,11-14,17-18H,9-10,15-16H2,1-2H3
InChIKeyWKYMWLWGQABSSY-UHFFFAOYSA-N
XLogP7.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.51
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6,7-dimethoxy-9,10-diphenyl-1,2,3,4-tetrahydroanthracene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-9,10-diphenyl-1,2,3,4-tetrahydroanthracene?
The IUPAC name of 6,7-dimethoxy-9,10-diphenyl-1,2,3,4-tetrahydroanthracene (CID 177454119) is 6,7-dimethoxy-9,10-diphenyl-1,2,3,4-tetrahydroanthracene.
What is the SMILES notation for 6,7-dimethoxy-9,10-diphenyl-1,2,3,4-tetrahydroanthracene?
The canonical SMILES for 6,7-dimethoxy-9,10-diphenyl-1,2,3,4-tetrahydroanthracene is COc1cc2c(-c3ccccc3)c3c(c(-c4ccccc4)c2cc1OC)CCCC3.
What is the InChIKey of 6,7-dimethoxy-9,10-diphenyl-1,2,3,4-tetrahydroanthracene?
The InChIKey is WKYMWLWGQABSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26O2/c1-29-25-17-23-24(18-26(25)30-2)28(20-13-7-4-8-14-20)22-16-10-9-15-21(22)27(23)19-11-5-3-6-12-19/h3-8,11-14,17-18H,9-10,15-16H2,1-2H3.
What are the key properties of 6,7-dimethoxy-9,10-diphenyl-1,2,3,4-tetrahydroanthracene?
6,7-dimethoxy-9,10-diphenyl-1,2,3,4-tetrahydroanthracene has a molecular weight of 394.51 g/mol, XLogP of 7.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-9,10-diphenyl-1,2,3,4-tetrahydroanthracene is sourced from PubChem (CID 177454119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).