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

C24H18Br2 — CID 593085

IUPAC21,22-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
SMILESBrc1c2ccc3c(Br)c(ccc13)CCc1ccc3cc(ccc3c1)CC2
InChIInChI=1S/C24H18Br2/c25-23-17-5-1-15-3-7-20-14-16(4-8-19(20)13-15)2-6-18-10-12-21(23)22(11-9-17)24(18)26/h3-4,7-14H,1-2,5-6H2
InChIKeyXRHXEZDBYXDWCV-UHFFFAOYSA-N
MW466.22 g/mol
LogP7.40
Rot. Bonds

About 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

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 (PubChem CID 593085) has the molecular formula C24H18Br2 and a molecular weight of 466.22 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name21,22-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
PubChem CID593085
Molecular FormulaC24H18Br2
Molecular Weight466.22 g/mol
Exact Mass463.98
IUPAC Name21,22-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
SMILESBrc1c2ccc3c(Br)c(ccc13)CCc1ccc3cc(ccc3c1)CC2
InChIInChI=1S/C24H18Br2/c25-23-17-5-1-15-3-7-20-14-16(4-8-19(20)13-15)2-6-18-10-12-21(23)22(11-9-17)24(18)26/h3-4,7-14H,1-2,5-6H2
InChIKeyXRHXEZDBYXDWCV-UHFFFAOYSA-N
XLogP7.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.22
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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 with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Brc1c2ccc3c(Br)c(ccc13)CCc1ccc3cc(ccc3c1)CC2.
What is the InChIKey of 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?
The InChIKey is XRHXEZDBYXDWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Br2/c25-23-17-5-1-15-3-7-20-14-16(4-8-19(20)13-15)2-6-18-10-12-21(23)22(11-9-17)24(18)26/h3-4,7-14H,1-2,5-6H2.
What are the key properties of 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?
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 has a molecular weight of 466.22 g/mol, XLogP of 7.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 593085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).