5,11-dibromo-6,12-dimethyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene

C18H18Br2 — CID 170660844

IUPAC5,11-dibromo-6,12-dimethyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
SMILESCc1c2ccc(c1Br)CCc1ccc(c(Br)c1C)CC2
InChIInChI=1S/C18H18Br2/c1-11-13-3-7-15(17(11)19)10-6-14-4-8-16(9-5-13)18(20)12(14)2/h3-4,7-8H,5-6,9-10H2,1-2H3
InChIKeyLRXRXJNRRLGVLT-UHFFFAOYSA-N
MW394.15 g/mol
LogP5.71
Rot. Bonds

About 5,11-dibromo-6,12-dimethyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene

5,11-dibromo-6,12-dimethyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene (PubChem CID 170660844) has the molecular formula C18H18Br2 and a molecular weight of 394.15 g/mol. Its IUPAC name is 5,11-dibromo-6,12-dimethyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene.

Molecular Properties

Compound Name5,11-dibromo-6,12-dimethyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
PubChem CID170660844
Molecular FormulaC18H18Br2
Molecular Weight394.15 g/mol
Exact Mass391.98
IUPAC Name5,11-dibromo-6,12-dimethyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
SMILESCc1c2ccc(c1Br)CCc1ccc(c(Br)c1C)CC2
InChIInChI=1S/C18H18Br2/c1-11-13-3-7-15(17(11)19)10-6-14-4-8-16(9-5-13)18(20)12(14)2/h3-4,7-8H,5-6,9-10H2,1-2H3
InChIKeyLRXRXJNRRLGVLT-UHFFFAOYSA-N
XLogP5.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.15
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5,11-dibromo-6,12-dimethyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9,10-dimethylbicyclo[6.2.2]dodeca-1(10),8,11-triene
CID 15321172
8-bromo-7-methyl-3,4-dihydro-1H-naphthalen-2-one
CID 62705257
3-bromobicyclo[4.2.0]octa-1(6),2,4-triene
CID 10866980
1,2,4,5-tetrabromo-3,6-dimethylbenzene;1,4-xylene
CID 159795233
(6-bromo-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)methanol
CID 102134724
21,22-dibromopentacyclo[15.3.1.14,8.17,11.114,18]tetracosa-1(21),4(24),5,7,9,11(23),14(22),15,17,19-decaene
CID 593085
12-bromo-6-tert-butyl-16-methyltricyclo[9.2.2.14,8]hexadeca-1(13),4(16),5,7,11,14-hexaene
CID 10428404
11,12-dimethyl-5-azatricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
CID 171724156
3,4-dibromo-2-methylaniline
CID 19379030
(3-bromo-2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-trimethylsilane
CID 154480623
4-bromo-3-methyl-1,2-dihydronaphthalene
CID 12009186
5-bromo-2,3,4-trimethyl-1H-indene
CID 173231939

Frequently Asked Questions

What is the IUPAC name of 5,11-dibromo-6,12-dimethyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene?
The IUPAC name of 5,11-dibromo-6,12-dimethyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene (CID 170660844) is 5,11-dibromo-6,12-dimethyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene.
What is the SMILES notation for 5,11-dibromo-6,12-dimethyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene?
The canonical SMILES for 5,11-dibromo-6,12-dimethyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene is Cc1c2ccc(c1Br)CCc1ccc(c(Br)c1C)CC2.
What is the InChIKey of 5,11-dibromo-6,12-dimethyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene?
The InChIKey is LRXRXJNRRLGVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Br2/c1-11-13-3-7-15(17(11)19)10-6-14-4-8-16(9-5-13)18(20)12(14)2/h3-4,7-8H,5-6,9-10H2,1-2H3.
What are the key properties of 5,11-dibromo-6,12-dimethyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene?
5,11-dibromo-6,12-dimethyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene has a molecular weight of 394.15 g/mol, XLogP of 5.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-dibromo-6,12-dimethyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene is sourced from PubChem (CID 170660844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).