10,15,21,25-tetrabromo-7-methyl-18-(trifluoromethyl)-6,8,17,19-tetrazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),6,8,10,12,14,16,18,20,23-tridecaene

C24H7Br4F3N4 — CID 118122167

IUPAC10,15,21,25-tetrabromo-7-methyl-18-(trifluoromethyl)-6,8,17,19-tetrazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),6,8,10,12,14,16,18,20,23-tridecaene
SMILESCc1nc2c(Br)cc3c4cc(Br)c5nc(C(F)(F)F)nc6c(Br)cc(c7cc(Br)c(n1)c2c37)c4c56
InChIInChI=1S/C24H7Br4F3N4/c1-6-32-19-11(25)2-7-9-4-13(27)21-18-16(9)10(8-3-12(26)20(33-6)17(19)15(7)8)5-14(28)22(18)35-23(34-21)24(29,30)31/h2-5H,1H3
InChIKeyIZSYOGQKYYOCSL-UHFFFAOYSA-N
MW727.96 g/mol
LogP9.44
Rot. Bonds

About 10,15,21,25-tetrabromo-7-methyl-18-(trifluoromethyl)-6,8,17,19-tetrazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),6,8,10,12,14,16,18,20,23-tridecaene

10,15,21,25-tetrabromo-7-methyl-18-(trifluoromethyl)-6,8,17,19-tetrazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),6,8,10,12,14,16,18,20,23-tridecaene (PubChem CID 118122167) has the molecular formula C24H7Br4F3N4 and a molecular weight of 727.96 g/mol. Its IUPAC name is 10,15,21,25-tetrabromo-7-methyl-18-(trifluoromethyl)-6,8,17,19-tetrazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),6,8,10,12,14,16,18,20,23-tridecaene.

Molecular Properties

Compound Name10,15,21,25-tetrabromo-7-methyl-18-(trifluoromethyl)-6,8,17,19-tetrazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),6,8,10,12,14,16,18,20,23-tridecaene
PubChem CID118122167
Molecular FormulaC24H7Br4F3N4
Molecular Weight727.96 g/mol
Exact Mass723.74
IUPAC Name10,15,21,25-tetrabromo-7-methyl-18-(trifluoromethyl)-6,8,17,19-tetrazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),6,8,10,12,14,16,18,20,23-tridecaene
SMILESCc1nc2c(Br)cc3c4cc(Br)c5nc(C(F)(F)F)nc6c(Br)cc(c7cc(Br)c(n1)c2c37)c4c56
InChIInChI=1S/C24H7Br4F3N4/c1-6-32-19-11(25)2-7-9-4-13(27)21-18-16(9)10(8-3-12(26)20(33-6)17(19)15(7)8)5-14(28)22(18)35-23(34-21)24(29,30)31/h2-5H,1H3
InChIKeyIZSYOGQKYYOCSL-UHFFFAOYSA-N
XLogP9.44
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.96
LogP ≤ 59.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'naphth_amino_A(25)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 10,15,21,25-tetrabromo-7-methyl-18-(trifluoromethyl)-6,8,17,19-tetrazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),6,8,10,12,14,16,18,20,23-tridecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10,15,21,25-tetrabromo-7-methyl-18-(trifluoromethyl)-6,8,17,19-tetrazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),6,8,10,12,14,16,18,20,23-tridecaene?
The IUPAC name of 10,15,21,25-tetrabromo-7-methyl-18-(trifluoromethyl)-6,8,17,19-tetrazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),6,8,10,12,14,16,18,20,23-tridecaene (CID 118122167) is 10,15,21,25-tetrabromo-7-methyl-18-(trifluoromethyl)-6,8,17,19-tetrazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),6,8,10,12,14,16,18,20,23-tridecaene.
What is the SMILES notation for 10,15,21,25-tetrabromo-7-methyl-18-(trifluoromethyl)-6,8,17,19-tetrazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),6,8,10,12,14,16,18,20,23-tridecaene?
The canonical SMILES for 10,15,21,25-tetrabromo-7-methyl-18-(trifluoromethyl)-6,8,17,19-tetrazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),6,8,10,12,14,16,18,20,23-tridecaene is Cc1nc2c(Br)cc3c4cc(Br)c5nc(C(F)(F)F)nc6c(Br)cc(c7cc(Br)c(n1)c2c37)c4c56.
What is the InChIKey of 10,15,21,25-tetrabromo-7-methyl-18-(trifluoromethyl)-6,8,17,19-tetrazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),6,8,10,12,14,16,18,20,23-tridecaene?
The InChIKey is IZSYOGQKYYOCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H7Br4F3N4/c1-6-32-19-11(25)2-7-9-4-13(27)21-18-16(9)10(8-3-12(26)20(33-6)17(19)15(7)8)5-14(28)22(18)35-23(34-21)24(29,30)31/h2-5H,1H3.
What are the key properties of 10,15,21,25-tetrabromo-7-methyl-18-(trifluoromethyl)-6,8,17,19-tetrazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),6,8,10,12,14,16,18,20,23-tridecaene?
10,15,21,25-tetrabromo-7-methyl-18-(trifluoromethyl)-6,8,17,19-tetrazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),6,8,10,12,14,16,18,20,23-tridecaene has a molecular weight of 727.96 g/mol, XLogP of 9.44, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10,15,21,25-tetrabromo-7-methyl-18-(trifluoromethyl)-6,8,17,19-tetrazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),6,8,10,12,14,16,18,20,23-tridecaene is sourced from PubChem (CID 118122167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).