9-bromo-10-cyclohexyl-1-phenylanthracene

C26H23Br — CID 142694802

IUPAC9-bromo-10-cyclohexyl-1-phenylanthracene
SMILESBrc1c2ccccc2c(C2CCCCC2)c2cccc(-c3ccccc3)c12
InChIInChI=1S/C26H23Br/c27-26-22-15-8-7-14-21(22)24(19-12-5-2-6-13-19)23-17-9-16-20(25(23)26)18-10-3-1-4-11-18/h1,3-4,7-11,14-17,19H,2,5-6,12-13H2
InChIKeyWEKRRABACJWLTI-UHFFFAOYSA-N
MW415.37 g/mol
LogP8.47
Rot. Bonds2

About 9-bromo-10-cyclohexyl-1-phenylanthracene

9-bromo-10-cyclohexyl-1-phenylanthracene (PubChem CID 142694802) has the molecular formula C26H23Br and a molecular weight of 415.37 g/mol. Its IUPAC name is 9-bromo-10-cyclohexyl-1-phenylanthracene.

Molecular Properties

Compound Name9-bromo-10-cyclohexyl-1-phenylanthracene
PubChem CID142694802
Molecular FormulaC26H23Br
Molecular Weight415.37 g/mol
Exact Mass414.10
IUPAC Name9-bromo-10-cyclohexyl-1-phenylanthracene
SMILESBrc1c2ccccc2c(C2CCCCC2)c2cccc(-c3ccccc3)c12
InChIInChI=1S/C26H23Br/c27-26-22-15-8-7-14-21(22)24(19-12-5-2-6-13-19)23-17-9-16-20(25(23)26)18-10-3-1-4-11-18/h1,3-4,7-11,14-17,19H,2,5-6,12-13H2
InChIKeyWEKRRABACJWLTI-UHFFFAOYSA-N
XLogP8.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.37
LogP ≤ 58.47
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-(10-cyclohexylanthracen-9-yl)-2-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 157102441
4-(9,10-dicyclohexylanthracen-2-yl)benzo[a]anthracene
CID 156676969
2-cyclopentyl-1,4-diphenylnaphthalene
CID 15981874
tris(10-cyclodecylanthracen-9-yl) phosphite
CID 54426025
1-bromo-4-(2-cyclohexylphenyl)benzene
CID 156557060
1-cyclobutyl-2-phenylbenzene
CID 23453799
7,12-dicyclohexylbenzo[j]phenanthridine
CID 59183915
2-cyclopentyl-4-phenyl-1H-indene
CID 23105549
1-bromo-4-cycloheptylnaphthalene
CID 91324562
8-(7,12-dicyclohexylbenzo[k]fluoranthen-3-yl)-22-naphthalen-1-ylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2,4(14),5(26),6,8,10,12,15,17,19,21,23-tridecaene
CID 163880962
1,1'-biphenyl;cyclohexylbenzene
CID 141106050
1-bromo-4-(4-cyclohexylphenyl)-2-phenylbenzene
CID 150910002

Frequently Asked Questions

What is the IUPAC name of 9-bromo-10-cyclohexyl-1-phenylanthracene?
The IUPAC name of 9-bromo-10-cyclohexyl-1-phenylanthracene (CID 142694802) is 9-bromo-10-cyclohexyl-1-phenylanthracene.
What is the SMILES notation for 9-bromo-10-cyclohexyl-1-phenylanthracene?
The canonical SMILES for 9-bromo-10-cyclohexyl-1-phenylanthracene is Brc1c2ccccc2c(C2CCCCC2)c2cccc(-c3ccccc3)c12.
What is the InChIKey of 9-bromo-10-cyclohexyl-1-phenylanthracene?
The InChIKey is WEKRRABACJWLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Br/c27-26-22-15-8-7-14-21(22)24(19-12-5-2-6-13-19)23-17-9-16-20(25(23)26)18-10-3-1-4-11-18/h1,3-4,7-11,14-17,19H,2,5-6,12-13H2.
What are the key properties of 9-bromo-10-cyclohexyl-1-phenylanthracene?
9-bromo-10-cyclohexyl-1-phenylanthracene has a molecular weight of 415.37 g/mol, XLogP of 8.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-10-cyclohexyl-1-phenylanthracene is sourced from PubChem (CID 142694802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).