5,11-bis(2,2-dibromoethenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene

C20H16Br4 — CID 139076148

IUPAC5,11-bis(2,2-dibromoethenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
SMILESBrC(Br)=Cc1cc2ccc1CCc1ccc(c(C=C(Br)Br)c1)CC2
InChIInChI=1S/C20H16Br4/c21-19(22)11-17-9-13-1-5-15(17)8-4-14-2-6-16(7-3-13)18(10-14)12-20(23)24/h1-2,5-6,9-12H,3-4,7-8H2
InChIKeyDCVAKCZUKRHCTR-UHFFFAOYSA-N
MW575.96 g/mol
LogP7.75
Rot. Bonds2

About 5,11-bis(2,2-dibromoethenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene

5,11-bis(2,2-dibromoethenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene (PubChem CID 139076148) has the molecular formula C20H16Br4 and a molecular weight of 575.96 g/mol. Its IUPAC name is 5,11-bis(2,2-dibromoethenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene.

Molecular Properties

Compound Name5,11-bis(2,2-dibromoethenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
PubChem CID139076148
Molecular FormulaC20H16Br4
Molecular Weight575.96 g/mol
Exact Mass571.80
IUPAC Name5,11-bis(2,2-dibromoethenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
SMILESBrC(Br)=Cc1cc2ccc1CCc1ccc(c(C=C(Br)Br)c1)CC2
InChIInChI=1S/C20H16Br4/c21-19(22)11-17-9-13-1-5-15(17)8-4-14-2-6-16(7-3-13)18(10-14)12-20(23)24/h1-2,5-6,9-12H,3-4,7-8H2
InChIKeyDCVAKCZUKRHCTR-UHFFFAOYSA-N
XLogP7.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.96
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5,12-bis(ethenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
CID 10777766
ethyl (E)-2-methyl-3-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)prop-2-enoate
CID 101034362
(2E,4E,6E)-7-[12-[(1E,3E,5E)-7-hydroxyhepta-1,3,5-trienyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]hepta-2,4,6-trien-1-ol
CID 11475779
5-[(E)-2-cyclopenta-2,4-dien-1-ylethenyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene
CID 15328348
tricyclo[10.2.2.25,8]octadeca-1(14),5,7,12,15,17-hexaene-6,14-dicarbaldehyde
CID 58554908
12-(2-hydroxyethyliminomethyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaen-5-ol
CID 24807421
1-methyl-4-[(E)-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethenyl]pyridin-1-ium
CID 155908650
tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,12-dicarboxylic acid
CID 4072199
5-(bromomethyl)tetracyclo[14.2.2.24,7.210,13]tetracosa-1(19),4,6,10(22),11,13(21),16(20),17,23-nonaene
CID 15184281
5-(trifluoromethyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene
CID 21337608
13-bromotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diol
CID 101351995
5,11-bis(trifluoromethyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene;5,12-bis(trifluoromethyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene;ethane
CID 159004631

Frequently Asked Questions

What is the IUPAC name of 5,11-bis(2,2-dibromoethenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene?
The IUPAC name of 5,11-bis(2,2-dibromoethenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene (CID 139076148) is 5,11-bis(2,2-dibromoethenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene.
What is the SMILES notation for 5,11-bis(2,2-dibromoethenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene?
The canonical SMILES for 5,11-bis(2,2-dibromoethenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene is BrC(Br)=Cc1cc2ccc1CCc1ccc(c(C=C(Br)Br)c1)CC2.
What is the InChIKey of 5,11-bis(2,2-dibromoethenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene?
The InChIKey is DCVAKCZUKRHCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Br4/c21-19(22)11-17-9-13-1-5-15(17)8-4-14-2-6-16(7-3-13)18(10-14)12-20(23)24/h1-2,5-6,9-12H,3-4,7-8H2.
What are the key properties of 5,11-bis(2,2-dibromoethenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene?
5,11-bis(2,2-dibromoethenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene has a molecular weight of 575.96 g/mol, XLogP of 7.75, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-bis(2,2-dibromoethenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene is sourced from PubChem (CID 139076148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).