2,9,10-trimethyl-1-(2,9,10-trimethylanthracen-1-yl)oxyanthracene

C34H30O — CID 138558667

IUPAC2,9,10-trimethyl-1-(2,9,10-trimethylanthracen-1-yl)oxyanthracene
SMILESCc1ccc2c(C)c3ccccc3c(C)c2c1Oc1c(C)ccc2c(C)c3ccccc3c(C)c12
InChIInChI=1S/C34H30O/c1-19-15-17-29-21(3)25-11-7-9-13-27(25)23(5)31(29)33(19)35-34-20(2)16-18-30-22(4)26-12-8-10-14-28(26)24(6)32(30)34/h7-18H,1-6H3
InChIKeyVSYLHNNLMKCOOV-UHFFFAOYSA-N
MW454.61 g/mol
LogP9.94
Rot. Bonds2

About 2,9,10-trimethyl-1-(2,9,10-trimethylanthracen-1-yl)oxyanthracene

2,9,10-trimethyl-1-(2,9,10-trimethylanthracen-1-yl)oxyanthracene (PubChem CID 138558667) has the molecular formula C34H30O and a molecular weight of 454.61 g/mol. Its IUPAC name is 2,9,10-trimethyl-1-(2,9,10-trimethylanthracen-1-yl)oxyanthracene.

Molecular Properties

Compound Name2,9,10-trimethyl-1-(2,9,10-trimethylanthracen-1-yl)oxyanthracene
PubChem CID138558667
Molecular FormulaC34H30O
Molecular Weight454.61 g/mol
Exact Mass454.23
IUPAC Name2,9,10-trimethyl-1-(2,9,10-trimethylanthracen-1-yl)oxyanthracene
SMILESCc1ccc2c(C)c3ccccc3c(C)c2c1Oc1c(C)ccc2c(C)c3ccccc3c(C)c12
InChIInChI=1S/C34H30O/c1-19-15-17-29-21(3)25-11-7-9-13-27(25)23(5)31(29)33(19)35-34-20(2)16-18-30-22(4)26-12-8-10-14-28(26)24(6)32(30)34/h7-18H,1-6H3
InChIKeyVSYLHNNLMKCOOV-UHFFFAOYSA-N
XLogP9.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.61
LogP ≤ 59.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2,9,10-trimethyl-1-(2,9,10-trimethylanthracen-1-yl)oxyanthracene?
The IUPAC name of 2,9,10-trimethyl-1-(2,9,10-trimethylanthracen-1-yl)oxyanthracene (CID 138558667) is 2,9,10-trimethyl-1-(2,9,10-trimethylanthracen-1-yl)oxyanthracene.
What is the SMILES notation for 2,9,10-trimethyl-1-(2,9,10-trimethylanthracen-1-yl)oxyanthracene?
The canonical SMILES for 2,9,10-trimethyl-1-(2,9,10-trimethylanthracen-1-yl)oxyanthracene is Cc1ccc2c(C)c3ccccc3c(C)c2c1Oc1c(C)ccc2c(C)c3ccccc3c(C)c12.
What is the InChIKey of 2,9,10-trimethyl-1-(2,9,10-trimethylanthracen-1-yl)oxyanthracene?
The InChIKey is VSYLHNNLMKCOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30O/c1-19-15-17-29-21(3)25-11-7-9-13-27(25)23(5)31(29)33(19)35-34-20(2)16-18-30-22(4)26-12-8-10-14-28(26)24(6)32(30)34/h7-18H,1-6H3.
What are the key properties of 2,9,10-trimethyl-1-(2,9,10-trimethylanthracen-1-yl)oxyanthracene?
2,9,10-trimethyl-1-(2,9,10-trimethylanthracen-1-yl)oxyanthracene has a molecular weight of 454.61 g/mol, XLogP of 9.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9,10-trimethyl-1-(2,9,10-trimethylanthracen-1-yl)oxyanthracene is sourced from PubChem (CID 138558667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).