4,25-dibromo-13,16-difluorohexacyclo[16.8.0.02,11.05,10.012,17.019,24]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene

C26H12Br2F2 — CID 134962821

IUPAC4,25-dibromo-13,16-difluorohexacyclo[16.8.0.02,11.05,10.012,17.019,24]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene
SMILESFc1ccc(F)c2c1c1c3ccccc3c(Br)cc1c1cc(Br)c3ccccc3c12
InChIInChI=1S/C26H12Br2F2/c27-19-11-17-18-12-20(28)14-6-2-4-8-16(14)24(18)26-22(30)10-9-21(29)25(26)23(17)15-7-3-1-5-13(15)19/h1-12H
InChIKeyDPYRVDAPBKWXBN-UHFFFAOYSA-N
MW522.19 g/mol
LogP9.26
Rot. Bonds

About 4,25-dibromo-13,16-difluorohexacyclo[16.8.0.02,11.05,10.012,17.019,24]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene

4,25-dibromo-13,16-difluorohexacyclo[16.8.0.02,11.05,10.012,17.019,24]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene (PubChem CID 134962821) has the molecular formula C26H12Br2F2 and a molecular weight of 522.19 g/mol. Its IUPAC name is 4,25-dibromo-13,16-difluorohexacyclo[16.8.0.02,11.05,10.012,17.019,24]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene.

Molecular Properties

Compound Name4,25-dibromo-13,16-difluorohexacyclo[16.8.0.02,11.05,10.012,17.019,24]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene
PubChem CID134962821
Molecular FormulaC26H12Br2F2
Molecular Weight522.19 g/mol
Exact Mass519.93
IUPAC Name4,25-dibromo-13,16-difluorohexacyclo[16.8.0.02,11.05,10.012,17.019,24]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene
SMILESFc1ccc(F)c2c1c1c3ccccc3c(Br)cc1c1cc(Br)c3ccccc3c12
InChIInChI=1S/C26H12Br2F2/c27-19-11-17-18-12-20(28)14-6-2-4-8-16(14)24(18)26-22(30)10-9-21(29)25(26)23(17)15-7-3-1-5-13(15)19/h1-12H
InChIKeyDPYRVDAPBKWXBN-UHFFFAOYSA-N
XLogP9.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.19
LogP ≤ 59.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4,25-dibromo-13,16-difluorohexacyclo[16.8.0.02,11.05,10.012,17.019,24]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene 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-Bromophenanthrene
CID 11309
9,10-Dibromoanthracene
CID 68226
9-Bromoanthracene
CID 74062
6-Bromobenzo(a)pyrene
CID 30545
1-Bromopyrene
CID 159627
7-Bromobenz(a)anthracene
CID 72849
9-Bromo-10-phenyl-anthracene
CID 4155836
9-Bromo-10-methylanthracene
CID 5077898
1,3,6,8-Tetrabromopyrene
CID 67188
Pyrene, 1,6-Dibromo-
CID 176470
4-Bromopyrene
CID 3014036
2-Bromoanthracene
CID 12346099

Frequently Asked Questions

What is the IUPAC name of 4,25-dibromo-13,16-difluorohexacyclo[16.8.0.02,11.05,10.012,17.019,24]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene?
The IUPAC name of 4,25-dibromo-13,16-difluorohexacyclo[16.8.0.02,11.05,10.012,17.019,24]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene (CID 134962821) is 4,25-dibromo-13,16-difluorohexacyclo[16.8.0.02,11.05,10.012,17.019,24]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene.
What is the SMILES notation for 4,25-dibromo-13,16-difluorohexacyclo[16.8.0.02,11.05,10.012,17.019,24]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene?
The canonical SMILES for 4,25-dibromo-13,16-difluorohexacyclo[16.8.0.02,11.05,10.012,17.019,24]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene is Fc1ccc(F)c2c1c1c3ccccc3c(Br)cc1c1cc(Br)c3ccccc3c12.
What is the InChIKey of 4,25-dibromo-13,16-difluorohexacyclo[16.8.0.02,11.05,10.012,17.019,24]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene?
The InChIKey is DPYRVDAPBKWXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H12Br2F2/c27-19-11-17-18-12-20(28)14-6-2-4-8-16(14)24(18)26-22(30)10-9-21(29)25(26)23(17)15-7-3-1-5-13(15)19/h1-12H.
What are the key properties of 4,25-dibromo-13,16-difluorohexacyclo[16.8.0.02,11.05,10.012,17.019,24]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene?
4,25-dibromo-13,16-difluorohexacyclo[16.8.0.02,11.05,10.012,17.019,24]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene has a molecular weight of 522.19 g/mol, XLogP of 9.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,25-dibromo-13,16-difluorohexacyclo[16.8.0.02,11.05,10.012,17.019,24]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene is sourced from PubChem (CID 134962821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).