1,2,9,10-tetra(propan-2-yloxy)anthracene

C26H34O4 — CID 139929958

IUPAC1,2,9,10-tetra(propan-2-yloxy)anthracene
SMILESCC(C)Oc1ccc2c(OC(C)C)c3ccccc3c(OC(C)C)c2c1OC(C)C
InChIInChI=1S/C26H34O4/c1-15(2)27-22-14-13-21-23(26(22)30-18(7)8)25(29-17(5)6)20-12-10-9-11-19(20)24(21)28-16(3)4/h9-18H,1-8H3
InChIKeyZUFGUZHVKXHEJQ-UHFFFAOYSA-N
MW410.55 g/mol
LogP7.14
Rot. Bonds8

About 1,2,9,10-tetra(propan-2-yloxy)anthracene

1,2,9,10-tetra(propan-2-yloxy)anthracene (PubChem CID 139929958) has the molecular formula C26H34O4 and a molecular weight of 410.55 g/mol. Its IUPAC name is 1,2,9,10-tetra(propan-2-yloxy)anthracene.

Molecular Properties

Compound Name1,2,9,10-tetra(propan-2-yloxy)anthracene
PubChem CID139929958
Molecular FormulaC26H34O4
Molecular Weight410.55 g/mol
Exact Mass410.25
IUPAC Name1,2,9,10-tetra(propan-2-yloxy)anthracene
SMILESCC(C)Oc1ccc2c(OC(C)C)c3ccccc3c(OC(C)C)c2c1OC(C)C
InChIInChI=1S/C26H34O4/c1-15(2)27-22-14-13-21-23(26(22)30-18(7)8)25(29-17(5)6)20-12-10-9-11-19(20)24(21)28-16(3)4/h9-18H,1-8H3
InChIKeyZUFGUZHVKXHEJQ-UHFFFAOYSA-N
XLogP7.14
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.55
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,2,9,10-tetra(propan-2-yloxy)anthracene with MolForge

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

Launch Full Analysis

Related Compounds

1,4,9,10-tetra(propan-2-yloxy)anthracene
CID 139930355
1-bromo-4-propan-2-yloxynaphthalene
CID 15341859
2-chloro-9,10-di(propan-2-yloxy)anthracene
CID 139930221
[1,4-di(propan-2-yloxy)naphthalen-2-yl]methanol
CID 169273803
N-methyl-4-propan-2-yloxynaphthalen-1-amine
CID 82263217
9-propan-2-yloxyanthracene
CID 13287348
1,2-di(propan-2-yloxy)anthracene
CID 174565596
2-propan-2-yloxynaphthalen-1-ol
CID 23272530
CID 18764013
CID 18764013
[2,3-di(propan-2-yloxy)phenyl]phosphane
CID 21468187
1-propan-2-yloxyperylene
CID 57281730
1-[10-(1-hydroxyethoxy)anthracen-9-yl]oxyethanol
CID 153326329

Frequently Asked Questions

What is the IUPAC name of 1,2,9,10-tetra(propan-2-yloxy)anthracene?
The IUPAC name of 1,2,9,10-tetra(propan-2-yloxy)anthracene (CID 139929958) is 1,2,9,10-tetra(propan-2-yloxy)anthracene.
What is the SMILES notation for 1,2,9,10-tetra(propan-2-yloxy)anthracene?
The canonical SMILES for 1,2,9,10-tetra(propan-2-yloxy)anthracene is CC(C)Oc1ccc2c(OC(C)C)c3ccccc3c(OC(C)C)c2c1OC(C)C.
What is the InChIKey of 1,2,9,10-tetra(propan-2-yloxy)anthracene?
The InChIKey is ZUFGUZHVKXHEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34O4/c1-15(2)27-22-14-13-21-23(26(22)30-18(7)8)25(29-17(5)6)20-12-10-9-11-19(20)24(21)28-16(3)4/h9-18H,1-8H3.
What are the key properties of 1,2,9,10-tetra(propan-2-yloxy)anthracene?
1,2,9,10-tetra(propan-2-yloxy)anthracene has a molecular weight of 410.55 g/mol, XLogP of 7.14, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,9,10-tetra(propan-2-yloxy)anthracene is sourced from PubChem (CID 139929958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).