9,10-bis[(4-tert-butylcyclohexyl)oxy]anthracene

C34H46O2 — CID 139845435

IUPAC9,10-bis[(4-tert-butylcyclohexyl)oxy]anthracene
SMILESCC(C)(C)C1CCC(Oc2c3ccccc3c(OC3CCC(C(C)(C)C)CC3)c3ccccc23)CC1
InChIInChI=1S/C34H46O2/c1-33(2,3)23-15-19-25(20-16-23)35-31-27-11-7-9-13-29(27)32(30-14-10-8-12-28(30)31)36-26-21-17-24(18-22-26)34(4,5)6/h7-14,23-26H,15-22H2,1-6H3
InChIKeyWNYZXVAWFTUTJB-UHFFFAOYSA-N
MW486.74 g/mol
LogP9.96
Rot. Bonds4

About 9,10-bis[(4-tert-butylcyclohexyl)oxy]anthracene

9,10-bis[(4-tert-butylcyclohexyl)oxy]anthracene (PubChem CID 139845435) has the molecular formula C34H46O2 and a molecular weight of 486.74 g/mol. Its IUPAC name is 9,10-bis[(4-tert-butylcyclohexyl)oxy]anthracene.

Molecular Properties

Compound Name9,10-bis[(4-tert-butylcyclohexyl)oxy]anthracene
PubChem CID139845435
Molecular FormulaC34H46O2
Molecular Weight486.74 g/mol
Exact Mass486.35
IUPAC Name9,10-bis[(4-tert-butylcyclohexyl)oxy]anthracene
SMILESCC(C)(C)C1CCC(Oc2c3ccccc3c(OC3CCC(C(C)(C)C)CC3)c3ccccc23)CC1
InChIInChI=1S/C34H46O2/c1-33(2,3)23-15-19-25(20-16-23)35-31-27-11-7-9-13-29(27)32(30-14-10-8-12-28(30)31)36-26-21-17-24(18-22-26)34(4,5)6/h7-14,23-26H,15-22H2,1-6H3
InChIKeyWNYZXVAWFTUTJB-UHFFFAOYSA-N
XLogP9.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.74
LogP ≤ 59.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9,10-bis[(4-tert-butylcyclohexyl)oxy]anthracene?
The IUPAC name of 9,10-bis[(4-tert-butylcyclohexyl)oxy]anthracene (CID 139845435) is 9,10-bis[(4-tert-butylcyclohexyl)oxy]anthracene.
What is the SMILES notation for 9,10-bis[(4-tert-butylcyclohexyl)oxy]anthracene?
The canonical SMILES for 9,10-bis[(4-tert-butylcyclohexyl)oxy]anthracene is CC(C)(C)C1CCC(Oc2c3ccccc3c(OC3CCC(C(C)(C)C)CC3)c3ccccc23)CC1.
What is the InChIKey of 9,10-bis[(4-tert-butylcyclohexyl)oxy]anthracene?
The InChIKey is WNYZXVAWFTUTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H46O2/c1-33(2,3)23-15-19-25(20-16-23)35-31-27-11-7-9-13-29(27)32(30-14-10-8-12-28(30)31)36-26-21-17-24(18-22-26)34(4,5)6/h7-14,23-26H,15-22H2,1-6H3.
What are the key properties of 9,10-bis[(4-tert-butylcyclohexyl)oxy]anthracene?
9,10-bis[(4-tert-butylcyclohexyl)oxy]anthracene has a molecular weight of 486.74 g/mol, XLogP of 9.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis[(4-tert-butylcyclohexyl)oxy]anthracene is sourced from PubChem (CID 139845435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).