8,9,16,17-tetrabromotetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,10,12,14,18,20-nonaene

C22H16Br4 — CID 11135759

IUPAC8,9,16,17-tetrabromotetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,10,12,14,18,20-nonaene
SMILESBrC1c2ccccc2-c2ccccc2C(Br)C(Br)c2ccccc2C1Br
InChIInChI=1S/C22H16Br4/c23-19-15-9-3-1-7-13(15)14-8-2-4-10-16(14)20(24)22(26)18-12-6-5-11-17(18)21(19)25/h1-12,19-22H
InChIKeyKEJRRSPDYOADSO-UHFFFAOYSA-N
MW599.99 g/mol
LogP8.81
Rot. Bonds

About 8,9,16,17-tetrabromotetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,10,12,14,18,20-nonaene

8,9,16,17-tetrabromotetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,10,12,14,18,20-nonaene (PubChem CID 11135759) has the molecular formula C22H16Br4 and a molecular weight of 599.99 g/mol. Its IUPAC name is 8,9,16,17-tetrabromotetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,10,12,14,18,20-nonaene.

Molecular Properties

Compound Name8,9,16,17-tetrabromotetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,10,12,14,18,20-nonaene
PubChem CID11135759
Molecular FormulaC22H16Br4
Molecular Weight599.99 g/mol
Exact Mass595.80
IUPAC Name8,9,16,17-tetrabromotetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,10,12,14,18,20-nonaene
SMILESBrC1c2ccccc2-c2ccccc2C(Br)C(Br)c2ccccc2C1Br
InChIInChI=1S/C22H16Br4/c23-19-15-9-3-1-7-13(15)14-8-2-4-10-16(14)20(24)22(26)18-12-6-5-11-17(18)21(19)25/h1-12,19-22H
InChIKeyKEJRRSPDYOADSO-UHFFFAOYSA-N
XLogP8.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.99
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(14S,15S)-14,15-dibromo-3-methyltetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,16,18-nonaene
CID 95240162
11,12-dibromo-11,12-dihydroindeno[2,1-a]fluorene
CID 132512258
9-fluoro-9H-fluorene
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9H-fluorene-9-sulfinate
CID 175197290
4-bromo-3-(2-chlorophenyl)-3,4-dihydroisochromen-1-one
CID 57332932
9-phenyl-9H-fluorene
CID 13091
9-deuterio-9-methylfluorene
CID 169301704
9-[(2R,3R)-2,3-dibromo-4-fluoren-9-ylidenecyclobutylidene]fluorene
CID 132603146
3-bromo-2,3-dihydroinden-1-one
CID 11745912
9-bromo-10,10-dimethoxy-9H-phenanthrene
CID 165347012
lithium 9-ethyl-9H-fluorene
CID 23225742
9H-fluorene-9-carbaldehyde
CID 11074281

Frequently Asked Questions

What is the IUPAC name of 8,9,16,17-tetrabromotetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,10,12,14,18,20-nonaene?
The IUPAC name of 8,9,16,17-tetrabromotetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,10,12,14,18,20-nonaene (CID 11135759) is 8,9,16,17-tetrabromotetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,10,12,14,18,20-nonaene.
What is the SMILES notation for 8,9,16,17-tetrabromotetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,10,12,14,18,20-nonaene?
The canonical SMILES for 8,9,16,17-tetrabromotetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,10,12,14,18,20-nonaene is BrC1c2ccccc2-c2ccccc2C(Br)C(Br)c2ccccc2C1Br.
What is the InChIKey of 8,9,16,17-tetrabromotetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,10,12,14,18,20-nonaene?
The InChIKey is KEJRRSPDYOADSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Br4/c23-19-15-9-3-1-7-13(15)14-8-2-4-10-16(14)20(24)22(26)18-12-6-5-11-17(18)21(19)25/h1-12,19-22H.
What are the key properties of 8,9,16,17-tetrabromotetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,10,12,14,18,20-nonaene?
8,9,16,17-tetrabromotetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,10,12,14,18,20-nonaene has a molecular weight of 599.99 g/mol, XLogP of 8.81, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9,16,17-tetrabromotetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,10,12,14,18,20-nonaene is sourced from PubChem (CID 11135759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).