16,34-dibromo-3,13,20,30-tetrazadecacyclo[16.16.2.14,8.121,25.02,13.015,35.020,31.032,36.012,38.029,37]octatriaconta-1(34),2,4,6,8(38),9,11,15,17,25(37),26,28,30,32,35-pentadecaene-14,19-dione

C34H18Br2N4O2 — CID 118055376

IUPAC16,34-dibromo-3,13,20,30-tetrazadecacyclo[16.16.2.14,8.121,25.02,13.015,35.020,31.032,36.012,38.029,37]octatriaconta-1(34),2,4,6,8(38),9,11,15,17,25(37),26,28,30,32,35-pentadecaene-14,19-dione
SMILESO=c1c2cc(Br)c3c(=O)n4c5cccc6cccc(nc4c4c(Br)cc(c7n1C1CCCc8cccc(c81)N=7)c2c34)c65
InChIInChI=1S/C34H18Br2N4O2/c35-19-13-17-27-18(33(41)39-23-11-3-7-15-5-1-9-21(25(15)23)37-31(17)39)14-20(36)29-30(27)28(19)32-38-22-10-2-6-16-8-4-12-24(26(16)22)40(32)34(29)42/h1-2,4-6,8-10,12-14,23H,3,7,11H2
InChIKeyGDNMUMJPXHKZLP-UHFFFAOYSA-N
MW674.35 g/mol
LogP7.49
Rot. Bonds

About 16,34-dibromo-3,13,20,30-tetrazadecacyclo[16.16.2.14,8.121,25.02,13.015,35.020,31.032,36.012,38.029,37]octatriaconta-1(34),2,4,6,8(38),9,11,15,17,25(37),26,28,30,32,35-pentadecaene-14,19-dione

16,34-dibromo-3,13,20,30-tetrazadecacyclo[16.16.2.14,8.121,25.02,13.015,35.020,31.032,36.012,38.029,37]octatriaconta-1(34),2,4,6,8(38),9,11,15,17,25(37),26,28,30,32,35-pentadecaene-14,19-dione (PubChem CID 118055376) has the molecular formula C34H18Br2N4O2 and a molecular weight of 674.35 g/mol. Its IUPAC name is 16,34-dibromo-3,13,20,30-tetrazadecacyclo[16.16.2.14,8.121,25.02,13.015,35.020,31.032,36.012,38.029,37]octatriaconta-1(34),2,4,6,8(38),9,11,15,17,25(37),26,28,30,32,35-pentadecaene-14,19-dione.

Molecular Properties

Compound Name16,34-dibromo-3,13,20,30-tetrazadecacyclo[16.16.2.14,8.121,25.02,13.015,35.020,31.032,36.012,38.029,37]octatriaconta-1(34),2,4,6,8(38),9,11,15,17,25(37),26,28,30,32,35-pentadecaene-14,19-dione
PubChem CID118055376
Molecular FormulaC34H18Br2N4O2
Molecular Weight674.35 g/mol
Exact Mass671.98
IUPAC Name16,34-dibromo-3,13,20,30-tetrazadecacyclo[16.16.2.14,8.121,25.02,13.015,35.020,31.032,36.012,38.029,37]octatriaconta-1(34),2,4,6,8(38),9,11,15,17,25(37),26,28,30,32,35-pentadecaene-14,19-dione
SMILESO=c1c2cc(Br)c3c(=O)n4c5cccc6cccc(nc4c4c(Br)cc(c7n1C1CCCc8cccc(c81)N=7)c2c34)c65
InChIInChI=1S/C34H18Br2N4O2/c35-19-13-17-27-18(33(41)39-23-11-3-7-15-5-1-9-21(25(15)23)37-31(17)39)14-20(36)29-30(27)28(19)32-38-22-10-2-6-16-8-4-12-24(26(16)22)40(32)34(29)42/h1-2,4-6,8-10,12-14,23H,3,7,11H2
InChIKeyGDNMUMJPXHKZLP-UHFFFAOYSA-N
XLogP7.49
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.35
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 16,34-dibromo-3,13,20,30-tetrazadecacyclo[16.16.2.14,8.121,25.02,13.015,35.020,31.032,36.012,38.029,37]octatriaconta-1(34),2,4,6,8(38),9,11,15,17,25(37),26,28,30,32,35-pentadecaene-14,19-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 16,34-dibromo-3,13,20,30-tetrazadecacyclo[16.16.2.14,8.121,25.02,13.015,35.020,31.032,36.012,38.029,37]octatriaconta-1(34),2,4,6,8(38),9,11,15,17,25(37),26,28,30,32,35-pentadecaene-14,19-dione?
The IUPAC name of 16,34-dibromo-3,13,20,30-tetrazadecacyclo[16.16.2.14,8.121,25.02,13.015,35.020,31.032,36.012,38.029,37]octatriaconta-1(34),2,4,6,8(38),9,11,15,17,25(37),26,28,30,32,35-pentadecaene-14,19-dione (CID 118055376) is 16,34-dibromo-3,13,20,30-tetrazadecacyclo[16.16.2.14,8.121,25.02,13.015,35.020,31.032,36.012,38.029,37]octatriaconta-1(34),2,4,6,8(38),9,11,15,17,25(37),26,28,30,32,35-pentadecaene-14,19-dione.
What is the SMILES notation for 16,34-dibromo-3,13,20,30-tetrazadecacyclo[16.16.2.14,8.121,25.02,13.015,35.020,31.032,36.012,38.029,37]octatriaconta-1(34),2,4,6,8(38),9,11,15,17,25(37),26,28,30,32,35-pentadecaene-14,19-dione?
The canonical SMILES for 16,34-dibromo-3,13,20,30-tetrazadecacyclo[16.16.2.14,8.121,25.02,13.015,35.020,31.032,36.012,38.029,37]octatriaconta-1(34),2,4,6,8(38),9,11,15,17,25(37),26,28,30,32,35-pentadecaene-14,19-dione is O=c1c2cc(Br)c3c(=O)n4c5cccc6cccc(nc4c4c(Br)cc(c7n1C1CCCc8cccc(c81)N=7)c2c34)c65.
What is the InChIKey of 16,34-dibromo-3,13,20,30-tetrazadecacyclo[16.16.2.14,8.121,25.02,13.015,35.020,31.032,36.012,38.029,37]octatriaconta-1(34),2,4,6,8(38),9,11,15,17,25(37),26,28,30,32,35-pentadecaene-14,19-dione?
The InChIKey is GDNMUMJPXHKZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H18Br2N4O2/c35-19-13-17-27-18(33(41)39-23-11-3-7-15-5-1-9-21(25(15)23)37-31(17)39)14-20(36)29-30(27)28(19)32-38-22-10-2-6-16-8-4-12-24(26(16)22)40(32)34(29)42/h1-2,4-6,8-10,12-14,23H,3,7,11H2.
What are the key properties of 16,34-dibromo-3,13,20,30-tetrazadecacyclo[16.16.2.14,8.121,25.02,13.015,35.020,31.032,36.012,38.029,37]octatriaconta-1(34),2,4,6,8(38),9,11,15,17,25(37),26,28,30,32,35-pentadecaene-14,19-dione?
16,34-dibromo-3,13,20,30-tetrazadecacyclo[16.16.2.14,8.121,25.02,13.015,35.020,31.032,36.012,38.029,37]octatriaconta-1(34),2,4,6,8(38),9,11,15,17,25(37),26,28,30,32,35-pentadecaene-14,19-dione has a molecular weight of 674.35 g/mol, XLogP of 7.49, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 16,34-dibromo-3,13,20,30-tetrazadecacyclo[16.16.2.14,8.121,25.02,13.015,35.020,31.032,36.012,38.029,37]octatriaconta-1(34),2,4,6,8(38),9,11,15,17,25(37),26,28,30,32,35-pentadecaene-14,19-dione is sourced from PubChem (CID 118055376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).