6,7,16,17-tetrabromoheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(21),2,4,6,8,10,12,14,16,18(22),19,23-dodecaene

C24H8Br4 — CID 121232202

IUPAC6,7,16,17-tetrabromoheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(21),2,4,6,8,10,12,14,16,18(22),19,23-dodecaene
SMILESBrC1=C(Br)c2ccc3c4ccc5c6c(ccc(c7ccc1c2c73)c64)C(Br)=C5Br
InChIInChI=1S/C24H8Br4/c25-21-13-5-1-9-10-2-6-15-20-16(24(28)23(15)27)8-4-12(18(10)20)11-3-7-14(22(21)26)19(13)17(9)11/h1-8H
InChIKeyTVOFFMWDIICRKD-UHFFFAOYSA-N
MW615.94 g/mol
LogP9.60
Rot. Bonds

About 6,7,16,17-tetrabromoheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(21),2,4,6,8,10,12,14,16,18(22),19,23-dodecaene

6,7,16,17-tetrabromoheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(21),2,4,6,8,10,12,14,16,18(22),19,23-dodecaene (PubChem CID 121232202) has the molecular formula C24H8Br4 and a molecular weight of 615.94 g/mol. Its IUPAC name is 6,7,16,17-tetrabromoheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(21),2,4,6,8,10,12,14,16,18(22),19,23-dodecaene.

Molecular Properties

Compound Name6,7,16,17-tetrabromoheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(21),2,4,6,8,10,12,14,16,18(22),19,23-dodecaene
PubChem CID121232202
Molecular FormulaC24H8Br4
Molecular Weight615.94 g/mol
Exact Mass611.74
IUPAC Name6,7,16,17-tetrabromoheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(21),2,4,6,8,10,12,14,16,18(22),19,23-dodecaene
SMILESBrC1=C(Br)c2ccc3c4ccc5c6c(ccc(c7ccc1c2c73)c64)C(Br)=C5Br
InChIInChI=1S/C24H8Br4/c25-21-13-5-1-9-10-2-6-15-20-16(24(28)23(15)27)8-4-12(18(10)20)11-3-7-14(22(21)26)19(13)17(9)11/h1-8H
InChIKeyTVOFFMWDIICRKD-UHFFFAOYSA-N
XLogP9.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.94
LogP ≤ 59.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6,7,16,17-tetrabromoheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(21),2,4,6,8,10,12,14,16,18(22),19,23-dodecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,7,16,17-tetrabromoheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(21),2,4,6,8,10,12,14,16,18(22),19,23-dodecaene?
The IUPAC name of 6,7,16,17-tetrabromoheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(21),2,4,6,8,10,12,14,16,18(22),19,23-dodecaene (CID 121232202) is 6,7,16,17-tetrabromoheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(21),2,4,6,8,10,12,14,16,18(22),19,23-dodecaene.
What is the SMILES notation for 6,7,16,17-tetrabromoheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(21),2,4,6,8,10,12,14,16,18(22),19,23-dodecaene?
The canonical SMILES for 6,7,16,17-tetrabromoheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(21),2,4,6,8,10,12,14,16,18(22),19,23-dodecaene is BrC1=C(Br)c2ccc3c4ccc5c6c(ccc(c7ccc1c2c73)c64)C(Br)=C5Br.
What is the InChIKey of 6,7,16,17-tetrabromoheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(21),2,4,6,8,10,12,14,16,18(22),19,23-dodecaene?
The InChIKey is TVOFFMWDIICRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H8Br4/c25-21-13-5-1-9-10-2-6-15-20-16(24(28)23(15)27)8-4-12(18(10)20)11-3-7-14(22(21)26)19(13)17(9)11/h1-8H.
What are the key properties of 6,7,16,17-tetrabromoheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(21),2,4,6,8,10,12,14,16,18(22),19,23-dodecaene?
6,7,16,17-tetrabromoheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(21),2,4,6,8,10,12,14,16,18(22),19,23-dodecaene has a molecular weight of 615.94 g/mol, XLogP of 9.60, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,16,17-tetrabromoheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(21),2,4,6,8,10,12,14,16,18(22),19,23-dodecaene is sourced from PubChem (CID 121232202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).