1,7-dimethyl-2,6-di(propan-2-yl)anthracene

C22H26 — CID 142283655

IUPAC1,7-dimethyl-2,6-di(propan-2-yl)anthracene
SMILESCc1cc2cc3c(C)c(C(C)C)ccc3cc2cc1C(C)C
InChIInChI=1S/C22H26/c1-13(2)20-8-7-17-10-19-11-21(14(3)4)15(5)9-18(19)12-22(17)16(20)6/h7-14H,1-6H3
InChIKeySXVISOAURSCPPY-UHFFFAOYSA-N
MW290.45 g/mol
LogP6.86
Rot. Bonds2

About 1,7-dimethyl-2,6-di(propan-2-yl)anthracene

1,7-dimethyl-2,6-di(propan-2-yl)anthracene (PubChem CID 142283655) has the molecular formula C22H26 and a molecular weight of 290.45 g/mol. Its IUPAC name is 1,7-dimethyl-2,6-di(propan-2-yl)anthracene.

Molecular Properties

Compound Name1,7-dimethyl-2,6-di(propan-2-yl)anthracene
PubChem CID142283655
Molecular FormulaC22H26
Molecular Weight290.45 g/mol
Exact Mass290.20
IUPAC Name1,7-dimethyl-2,6-di(propan-2-yl)anthracene
SMILESCc1cc2cc3c(C)c(C(C)C)ccc3cc2cc1C(C)C
InChIInChI=1S/C22H26/c1-13(2)20-8-7-17-10-19-11-21(14(3)4)15(5)9-18(19)12-22(17)16(20)6/h7-14H,1-6H3
InChIKeySXVISOAURSCPPY-UHFFFAOYSA-N
XLogP6.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-1,2,7-tri(propan-2-yl)naphthalene
CID 142283671
bis(1,2,5,6-tetra(propan-2-yl)anthracene);1,2,7,8-tetra(propan-2-yl)anthracene
CID 165025507
7-methyl-1-propan-2-ylanthracene
CID 144739282
4-chloro-9-methyl-8-propan-2-ylbenzo[f]isoquinoline
CID 162482600
1,8-dimethyl-2-propan-2-ylnaphthalene
CID 174870278
2-iodo-1-methyl-4-(3-methyl-4-propan-2-ylphenyl)benzene
CID 155049009
ethane;1-methyl-4-propan-2-ylanthracene
CID 144783014
1-(2,4-dimethyl-5-propan-2-ylphenyl)-2,4-dimethyl-5-propan-2-ylbenzene
CID 144517655
6-propan-2-ylbenzo[a]anthracene
CID 90474215
1-methyl-6-propan-2-ylpyrene
CID 144975111
1,3-dimethyl-2,4-di(propan-2-yl)benzene;ethane
CID 145387685
2-N,2-N,6-N,6-N,1-pentamethylanthracene-2,6-diamine
CID 139804064

Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-2,6-di(propan-2-yl)anthracene?
The IUPAC name of 1,7-dimethyl-2,6-di(propan-2-yl)anthracene (CID 142283655) is 1,7-dimethyl-2,6-di(propan-2-yl)anthracene.
What is the SMILES notation for 1,7-dimethyl-2,6-di(propan-2-yl)anthracene?
The canonical SMILES for 1,7-dimethyl-2,6-di(propan-2-yl)anthracene is Cc1cc2cc3c(C)c(C(C)C)ccc3cc2cc1C(C)C.
What is the InChIKey of 1,7-dimethyl-2,6-di(propan-2-yl)anthracene?
The InChIKey is SXVISOAURSCPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26/c1-13(2)20-8-7-17-10-19-11-21(14(3)4)15(5)9-18(19)12-22(17)16(20)6/h7-14H,1-6H3.
What are the key properties of 1,7-dimethyl-2,6-di(propan-2-yl)anthracene?
1,7-dimethyl-2,6-di(propan-2-yl)anthracene has a molecular weight of 290.45 g/mol, XLogP of 6.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-2,6-di(propan-2-yl)anthracene is sourced from PubChem (CID 142283655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).