10,15,21,25-tetrabromo-7,18-bis(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

C24H4Br4F6N4 — CID 88931427

IUPAC10,15,21,25-tetrabromo-7,18-bis(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
SMILESFC(F)(F)c1nc2c(Br)cc3c4cc(Br)c5nc(C(F)(F)F)nc6c(Br)cc(c7cc(Br)c(n1)c2c37)c4c56
InChIInChI=1S/C24H4Br4F6N4/c25-9-1-5-6-2-10(26)19-16-14(6)8(4-12(28)20(16)38-22(37-19)24(32,33)34)7-3-11(27)18-15(13(5)7)17(9)35-21(36-18)23(29,30)31/h1-4H
InChIKeyPYOPILUKHDJZTP-UHFFFAOYSA-N
MW781.93 g/mol
LogP10.15
Rot. Bonds

About 10,15,21,25-tetrabromo-7,18-bis(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-7,18-bis(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 88931427) has the molecular formula C24H4Br4F6N4 and a molecular weight of 781.93 g/mol. Its IUPAC name is 10,15,21,25-tetrabromo-7,18-bis(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-7,18-bis(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 CID88931427
Molecular FormulaC24H4Br4F6N4
Molecular Weight781.93 g/mol
Exact Mass777.71
IUPAC Name10,15,21,25-tetrabromo-7,18-bis(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
SMILESFC(F)(F)c1nc2c(Br)cc3c4cc(Br)c5nc(C(F)(F)F)nc6c(Br)cc(c7cc(Br)c(n1)c2c37)c4c56
InChIInChI=1S/C24H4Br4F6N4/c25-9-1-5-6-2-10(26)19-16-14(6)8(4-12(28)20(16)38-22(37-19)24(32,33)34)7-3-11(27)18-15(13(5)7)17(9)35-21(36-18)23(29,30)31/h1-4H
InChIKeyPYOPILUKHDJZTP-UHFFFAOYSA-N
XLogP10.15
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.93
LogP ≤ 510.15
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-7,18-bis(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-7,18-bis(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-7,18-bis(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 88931427) is 10,15,21,25-tetrabromo-7,18-bis(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-7,18-bis(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-7,18-bis(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 FC(F)(F)c1nc2c(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-7,18-bis(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 PYOPILUKHDJZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H4Br4F6N4/c25-9-1-5-6-2-10(26)19-16-14(6)8(4-12(28)20(16)38-22(37-19)24(32,33)34)7-3-11(27)18-15(13(5)7)17(9)35-21(36-18)23(29,30)31/h1-4H.
What are the key properties of 10,15,21,25-tetrabromo-7,18-bis(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-7,18-bis(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 781.93 g/mol, XLogP of 10.15, 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-7,18-bis(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 88931427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).