9-bromo-2-tert-butylanthracene

C18H17Br — CID 23148611

IUPAC9-bromo-2-tert-butylanthracene
SMILESCC(C)(C)c1ccc2cc3ccccc3c(Br)c2c1
InChIInChI=1S/C18H17Br/c1-18(2,3)14-9-8-13-10-12-6-4-5-7-15(12)17(19)16(13)11-14/h4-11H,1-3H3
InChIKeyXXJJHGLCXQLRHL-UHFFFAOYSA-N
MW313.24 g/mol
LogP6.05
Rot. Bonds

About 9-bromo-2-tert-butylanthracene

9-bromo-2-tert-butylanthracene (PubChem CID 23148611) has the molecular formula C18H17Br and a molecular weight of 313.24 g/mol. Its IUPAC name is 9-bromo-2-tert-butylanthracene.

Molecular Properties

Compound Name9-bromo-2-tert-butylanthracene
PubChem CID23148611
Molecular FormulaC18H17Br
Molecular Weight313.24 g/mol
Exact Mass312.05
IUPAC Name9-bromo-2-tert-butylanthracene
SMILESCC(C)(C)c1ccc2cc3ccccc3c(Br)c2c1
InChIInChI=1S/C18H17Br/c1-18(2,3)14-9-8-13-10-12-6-4-5-7-15(12)17(19)16(13)11-14/h4-11H,1-3H3
InChIKeyXXJJHGLCXQLRHL-UHFFFAOYSA-N
XLogP6.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.24
LogP ≤ 56.05
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

9-bromo-2,3-dimethylanthracene
CID 77134418
9-bromo-2-methoxyanthracene
CID 11011618
11-[2-bromo-3-(8-tert-butylbenzo[a]carbazol-11-yl)phenyl]-8-tert-butylbenzo[a]carbazole
CID 164534099
14,29,44-tritert-butyltridecacyclo[32.11.1.14,12.119,27.02,33.03,17.06,11.018,32.021,26.036,41.042,46.016,48.031,47]octatetraconta-1(45),2,4,6,8,10,12(48),13,15,17,19,21,23,25,27(47),28,30,32,34,36,38,40,42(46),43-tetracosaene
CID 132518134
1-bromo-3-tert-butylnaphthalen-2-ol
CID 164578016
3-[tri(phenanthren-3-yl)methyl]phenanthrene
CID 11136326
anthracen-9-ylboronic acid;9-bromoanthracene
CID 157130020
1,7-ditert-butylnaphthalene
CID 59350345
10-tert-butylpentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
CID 140946759
2,6-ditert-butylanthracene
CID 15740416
pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 160736098
9-anthracen-9-yl-6-tert-butyl-N,N-diphenylcarbazol-3-amine
CID 58827498

Frequently Asked Questions

What is the IUPAC name of 9-bromo-2-tert-butylanthracene?
The IUPAC name of 9-bromo-2-tert-butylanthracene (CID 23148611) is 9-bromo-2-tert-butylanthracene.
What is the SMILES notation for 9-bromo-2-tert-butylanthracene?
The canonical SMILES for 9-bromo-2-tert-butylanthracene is CC(C)(C)c1ccc2cc3ccccc3c(Br)c2c1.
What is the InChIKey of 9-bromo-2-tert-butylanthracene?
The InChIKey is XXJJHGLCXQLRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Br/c1-18(2,3)14-9-8-13-10-12-6-4-5-7-15(12)17(19)16(13)11-14/h4-11H,1-3H3.
What are the key properties of 9-bromo-2-tert-butylanthracene?
9-bromo-2-tert-butylanthracene has a molecular weight of 313.24 g/mol, XLogP of 6.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-2-tert-butylanthracene is sourced from PubChem (CID 23148611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).