7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.17,14.125,32.03,19.04,16.08,13.020,37.026,31.034,38]dotetraconta-1(37),2,4,8,10,12,16,18,20,22,26,28,30,34(38),35,41-hexadecaene-6,15,24,33-tetrone

C38H20N4O4 — CID 101335378

IUPAC7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.17,14.125,32.03,19.04,16.08,13.020,37.026,31.034,38]dotetraconta-1(37),2,4,8,10,12,16,18,20,22,26,28,30,34(38),35,41-hexadecaene-6,15,24,33-tetrone
SMILESO=C1c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C(=O)N2CN1c1ccccc12)c64)C(=O)N1CN(C5=O)c2ccccc21
InChIInChI=1S/C38H20N4O4/c43-35-23-13-9-19-21-11-15-25-34-26(38(46)42-18-41(37(25)45)29-7-3-4-8-30(29)42)16-12-22(32(21)34)20-10-14-24(33(23)31(19)20)36(44)40-17-39(35)27-5-1-2-6-28(27)40/h1-16H,17-18H2
InChIKeyIZMUHNAYOZYDML-UHFFFAOYSA-N
MW596.60 g/mol
LogP6.89
Rot. Bonds

About 7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.17,14.125,32.03,19.04,16.08,13.020,37.026,31.034,38]dotetraconta-1(37),2,4,8,10,12,16,18,20,22,26,28,30,34(38),35,41-hexadecaene-6,15,24,33-tetrone

7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.17,14.125,32.03,19.04,16.08,13.020,37.026,31.034,38]dotetraconta-1(37),2,4,8,10,12,16,18,20,22,26,28,30,34(38),35,41-hexadecaene-6,15,24,33-tetrone (PubChem CID 101335378) has the molecular formula C38H20N4O4 and a molecular weight of 596.60 g/mol. Its IUPAC name is 7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.17,14.125,32.03,19.04,16.08,13.020,37.026,31.034,38]dotetraconta-1(37),2,4,8,10,12,16,18,20,22,26,28,30,34(38),35,41-hexadecaene-6,15,24,33-tetrone.

Molecular Properties

Compound Name7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.17,14.125,32.03,19.04,16.08,13.020,37.026,31.034,38]dotetraconta-1(37),2,4,8,10,12,16,18,20,22,26,28,30,34(38),35,41-hexadecaene-6,15,24,33-tetrone
PubChem CID101335378
Molecular FormulaC38H20N4O4
Molecular Weight596.60 g/mol
Exact Mass596.15
IUPAC Name7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.17,14.125,32.03,19.04,16.08,13.020,37.026,31.034,38]dotetraconta-1(37),2,4,8,10,12,16,18,20,22,26,28,30,34(38),35,41-hexadecaene-6,15,24,33-tetrone
SMILESO=C1c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C(=O)N2CN1c1ccccc12)c64)C(=O)N1CN(C5=O)c2ccccc21
InChIInChI=1S/C38H20N4O4/c43-35-23-13-9-19-21-11-15-25-34-26(38(46)42-18-41(37(25)45)29-7-3-4-8-30(29)42)16-12-22(32(21)34)20-10-14-24(33(23)31(19)20)36(44)40-17-39(35)27-5-1-2-6-28(27)40/h1-16H,17-18H2
InChIKeyIZMUHNAYOZYDML-UHFFFAOYSA-N
XLogP6.89
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.60
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.17,14.125,32.03,19.04,16.08,13.020,37.026,31.034,38]dotetraconta-1(37),2,4,8,10,12,16,18,20,22,26,28,30,34(38),35,41-hexadecaene-6,15,24,33-tetrone with MolForge

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Related Compounds

7,18-bis(2-hydroxyphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 153390185
7,18-bis(aminomethyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 23392746
7,18-dipyridin-2-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 139067375
6,13,26,33-tetrazanonacyclo[31.7.1.16,38.113,21.118,26.04,39.015,20.019,24.035,40]tetratetraconta-1(40),2,4(39),15(20),16,18,21,23,35,37-decaen-8,10,28,30-tetrayne-5,14,25,34,41,42,43,44-octone
CID 11981957
6,13-dinaphthalen-1-yl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 101065257
11,34-di(propan-2-yl)-11,34-diazahexadecacyclo[22.22.2.22,5.26,9.225,28.229,32.03,20.04,17.07,16.08,13.021,47.026,43.027,40.030,39.031,36.044,48]hexapentaconta-1(47),2,4,6,8,13,15,17,19,21,23,25(52),26(43),27(40),28(51),29(50),30(39),31(36),32(49),37,41,44(48),45,53,55-pentacosaene-10,12,33,35-tetrone
CID 130206612
25,48-dimethyl-25,48-diazaheptadecacyclo[44.6.2.220,23.12,10.17,31.03,42.04,9.05,40.06,33.08,17.011,16.021,30.022,27.034,39.043,53.050,54.019,55]octapentaconta-1(53),2,4(9),5(40),6(33),7,10(58),11,13,15,17,19(55),20,22,27,29,31,34,36,38,41,43,45,50(54),51,56-hexacosaene-24,26,47,49-tetrone;19,46-dimethyl-19,46-diazaoctadecacyclo[38.14.2.22,29.210,13.214,17.241,44.03,8.011,28.012,25.015,24.016,21.030,35.037,55.042,51.043,48.052,56.09,59.036,60]tetrahexaconta-1(54),2,4,6,8,10(64),11(28),12(25),13(63),14(62),15(24),16(21),17(61),22,26,29(59),30,32,34,36(60),37(55),38,40(56),41,43,48,50,52,57-nonacosaene-18,20,45,47-tetrone
CID 159379624
7,18-diphenyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8-dione
CID 130287415
nonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(31),2,4,6,8,10,13,15,17,19,22,24,26,28(32),29,33-hexadecaene-12,21-dione
CID 8317
7,18-bis(4-phenoxyphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 102222084
18-benzhydryl-7-oxa-18-azaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 123711063
16-methyl-5-(2-methyl-1,3-dioxobenzo[de]isoquinolin-6-yl)-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-15,17-dione
CID 58151073

Frequently Asked Questions

What is the IUPAC name of 7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.17,14.125,32.03,19.04,16.08,13.020,37.026,31.034,38]dotetraconta-1(37),2,4,8,10,12,16,18,20,22,26,28,30,34(38),35,41-hexadecaene-6,15,24,33-tetrone?
The IUPAC name of 7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.17,14.125,32.03,19.04,16.08,13.020,37.026,31.034,38]dotetraconta-1(37),2,4,8,10,12,16,18,20,22,26,28,30,34(38),35,41-hexadecaene-6,15,24,33-tetrone (CID 101335378) is 7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.17,14.125,32.03,19.04,16.08,13.020,37.026,31.034,38]dotetraconta-1(37),2,4,8,10,12,16,18,20,22,26,28,30,34(38),35,41-hexadecaene-6,15,24,33-tetrone.
What is the SMILES notation for 7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.17,14.125,32.03,19.04,16.08,13.020,37.026,31.034,38]dotetraconta-1(37),2,4,8,10,12,16,18,20,22,26,28,30,34(38),35,41-hexadecaene-6,15,24,33-tetrone?
The canonical SMILES for 7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.17,14.125,32.03,19.04,16.08,13.020,37.026,31.034,38]dotetraconta-1(37),2,4,8,10,12,16,18,20,22,26,28,30,34(38),35,41-hexadecaene-6,15,24,33-tetrone is O=C1c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C(=O)N2CN1c1ccccc12)c64)C(=O)N1CN(C5=O)c2ccccc21.
What is the InChIKey of 7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.17,14.125,32.03,19.04,16.08,13.020,37.026,31.034,38]dotetraconta-1(37),2,4,8,10,12,16,18,20,22,26,28,30,34(38),35,41-hexadecaene-6,15,24,33-tetrone?
The InChIKey is IZMUHNAYOZYDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H20N4O4/c43-35-23-13-9-19-21-11-15-25-34-26(38(46)42-18-41(37(25)45)29-7-3-4-8-30(29)42)16-12-22(32(21)34)20-10-14-24(33(23)31(19)20)36(44)40-17-39(35)27-5-1-2-6-28(27)40/h1-16H,17-18H2.
What are the key properties of 7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.17,14.125,32.03,19.04,16.08,13.020,37.026,31.034,38]dotetraconta-1(37),2,4,8,10,12,16,18,20,22,26,28,30,34(38),35,41-hexadecaene-6,15,24,33-tetrone?
7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.17,14.125,32.03,19.04,16.08,13.020,37.026,31.034,38]dotetraconta-1(37),2,4,8,10,12,16,18,20,22,26,28,30,34(38),35,41-hexadecaene-6,15,24,33-tetrone has a molecular weight of 596.60 g/mol, XLogP of 6.89, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.17,14.125,32.03,19.04,16.08,13.020,37.026,31.034,38]dotetraconta-1(37),2,4,8,10,12,16,18,20,22,26,28,30,34(38),35,41-hexadecaene-6,15,24,33-tetrone is sourced from PubChem (CID 101335378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).