8,10,13,15-tetrazaoctacyclo[13.12.3.02,7.08,28.09,14.016,21.022,30.025,29]triaconta-1(28),2,4,6,9,11,13,16,18,20,22(30),23,25(29),26-tetradecaene

C26H14N4 — CID 163440225

IUPAC8,10,13,15-tetrazaoctacyclo[13.12.3.02,7.08,28.09,14.016,21.022,30.025,29]triaconta-1(28),2,4,6,9,11,13,16,18,20,22(30),23,25(29),26-tetradecaene
SMILESc1ccc2c(c1)c1ccc3ccc4c5ccccc5n5c6nccnc6n2c1c3c45
InChIInChI=1S/C26H14N4/c1-3-7-20-16(5-1)18-11-9-15-10-12-19-17-6-2-4-8-21(17)30-24(19)22(15)23(18)29(20)25-26(30)28-14-13-27-25/h1-14H
InChIKeyAXWYVIQJSFEJLA-UHFFFAOYSA-N
MW382.43 g/mol
LogP6.19
Rot. Bonds

About 8,10,13,15-tetrazaoctacyclo[13.12.3.02,7.08,28.09,14.016,21.022,30.025,29]triaconta-1(28),2,4,6,9,11,13,16,18,20,22(30),23,25(29),26-tetradecaene

8,10,13,15-tetrazaoctacyclo[13.12.3.02,7.08,28.09,14.016,21.022,30.025,29]triaconta-1(28),2,4,6,9,11,13,16,18,20,22(30),23,25(29),26-tetradecaene (PubChem CID 163440225) has the molecular formula C26H14N4 and a molecular weight of 382.43 g/mol. Its IUPAC name is 8,10,13,15-tetrazaoctacyclo[13.12.3.02,7.08,28.09,14.016,21.022,30.025,29]triaconta-1(28),2,4,6,9,11,13,16,18,20,22(30),23,25(29),26-tetradecaene.

Molecular Properties

Compound Name8,10,13,15-tetrazaoctacyclo[13.12.3.02,7.08,28.09,14.016,21.022,30.025,29]triaconta-1(28),2,4,6,9,11,13,16,18,20,22(30),23,25(29),26-tetradecaene
PubChem CID163440225
Molecular FormulaC26H14N4
Molecular Weight382.43 g/mol
Exact Mass382.12
IUPAC Name8,10,13,15-tetrazaoctacyclo[13.12.3.02,7.08,28.09,14.016,21.022,30.025,29]triaconta-1(28),2,4,6,9,11,13,16,18,20,22(30),23,25(29),26-tetradecaene
SMILESc1ccc2c(c1)c1ccc3ccc4c5ccccc5n5c6nccnc6n2c1c3c45
InChIInChI=1S/C26H14N4/c1-3-7-20-16(5-1)18-11-9-15-10-12-19-17-6-2-4-8-21(17)30-24(19)22(15)23(18)29(20)25-26(30)28-14-13-27-25/h1-14H
InChIKeyAXWYVIQJSFEJLA-UHFFFAOYSA-N
XLogP6.19
TPSA34.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.43
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8,10,13,15-tetrazaoctacyclo[13.12.3.02,7.08,28.09,14.016,21.022,30.025,29]triaconta-1(28),2,4,6,9,11,13,16,18,20,22(30),23,25(29),26-tetradecaene with MolForge

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Related Compounds

4-bromo-8,10,13,15-tetrazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2(7),3,5,9,11,13,16,18,20,22(26),23-dodecaene
CID 149498274
5-chloro-8,15-diazaoctacyclo[13.12.3.02,7.08,28.09,14.016,21.022,30.025,29]triaconta-1(28),2(7),3,5,9,11,13,16,18,20,22(30),23,25(29),26-tetradecaene
CID 154967711
11-triphenylen-2-yl-8,15-diazaoctacyclo[13.12.3.02,7.08,28.09,14.016,21.022,30.025,29]triaconta-1(28),2,4,6,9(14),10,12,16,18,20,22(30),23,25(29),26-tetradecaene
CID 163653944
5-[4-(4-phenylphenyl)phenyl]-1,5-diazaoctacyclo[17.10.1.02,18.03,15.04,12.06,11.023,30.024,29]triaconta-2(18),3(15),4(12),6,8,10,13,16,19,21,23(30),24,26,28-tetradecaene
CID 163529710
14-(3-pyrido[2,3-b]indol-9-ylphenyl)-14,23-diazanonacyclo[21.10.1.02,22.03,15.04,13.07,12.016,21.024,29.030,34]tetratriaconta-1(33),2(22),3(15),4(13),5,7,9,11,16,18,20,24,26,28,30(34),31-hexadecaene
CID 146826614
18-tert-butyl-1,9-diazahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16(21),17,19-undecaene
CID 169015236
1,11,28-triazadecacyclo[19.13.3.02,14.04,12.05,10.015,35.018,36.022,27.028,37.029,34]heptatriaconta-2,4(12),5,7,9,13,15(35),16,18(36),19,21(37),22,24,26,29,31,33-heptadecaene
CID 154967679
7,10,13,20-tetrazadecacyclo[18.13.2.13,10.02,19.04,9.011,16.021,26.027,35.030,34.017,36]hexatriaconta-1(33),2(19),3(36),4(9),5,7,11(16),12,14,17,21,23,25,27(35),28,30(34),31-heptadecaene
CID 164528072
19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 12951299
5-(4-phenylquinazolin-2-yl)-1,5-diazaoctacyclo[17.10.1.02,18.03,15.04,12.06,11.023,30.024,29]triaconta-2(18),3(15),4(12),6,8,10,13,16,19,21,23(30),24,26,28-tetradecaene
CID 142290372
8-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,8-diazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2,4,6,9,11,13(24),14,16(23),17,19,21-undecaene
CID 170381313
1,5,28-triazaundecacyclo[19.17.3.02,14.04,12.06,11.015,39.018,40.022,27.028,41.029,38.031,36]hentetraconta-2(14),3,6,8,10,12,15(39),16,18(40),19,21(41),22,24,26,29,31,33,35,37-nonadecaene
CID 154967815

Frequently Asked Questions

What is the IUPAC name of 8,10,13,15-tetrazaoctacyclo[13.12.3.02,7.08,28.09,14.016,21.022,30.025,29]triaconta-1(28),2,4,6,9,11,13,16,18,20,22(30),23,25(29),26-tetradecaene?
The IUPAC name of 8,10,13,15-tetrazaoctacyclo[13.12.3.02,7.08,28.09,14.016,21.022,30.025,29]triaconta-1(28),2,4,6,9,11,13,16,18,20,22(30),23,25(29),26-tetradecaene (CID 163440225) is 8,10,13,15-tetrazaoctacyclo[13.12.3.02,7.08,28.09,14.016,21.022,30.025,29]triaconta-1(28),2,4,6,9,11,13,16,18,20,22(30),23,25(29),26-tetradecaene.
What is the SMILES notation for 8,10,13,15-tetrazaoctacyclo[13.12.3.02,7.08,28.09,14.016,21.022,30.025,29]triaconta-1(28),2,4,6,9,11,13,16,18,20,22(30),23,25(29),26-tetradecaene?
The canonical SMILES for 8,10,13,15-tetrazaoctacyclo[13.12.3.02,7.08,28.09,14.016,21.022,30.025,29]triaconta-1(28),2,4,6,9,11,13,16,18,20,22(30),23,25(29),26-tetradecaene is c1ccc2c(c1)c1ccc3ccc4c5ccccc5n5c6nccnc6n2c1c3c45.
What is the InChIKey of 8,10,13,15-tetrazaoctacyclo[13.12.3.02,7.08,28.09,14.016,21.022,30.025,29]triaconta-1(28),2,4,6,9,11,13,16,18,20,22(30),23,25(29),26-tetradecaene?
The InChIKey is AXWYVIQJSFEJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14N4/c1-3-7-20-16(5-1)18-11-9-15-10-12-19-17-6-2-4-8-21(17)30-24(19)22(15)23(18)29(20)25-26(30)28-14-13-27-25/h1-14H.
What are the key properties of 8,10,13,15-tetrazaoctacyclo[13.12.3.02,7.08,28.09,14.016,21.022,30.025,29]triaconta-1(28),2,4,6,9,11,13,16,18,20,22(30),23,25(29),26-tetradecaene?
8,10,13,15-tetrazaoctacyclo[13.12.3.02,7.08,28.09,14.016,21.022,30.025,29]triaconta-1(28),2,4,6,9,11,13,16,18,20,22(30),23,25(29),26-tetradecaene has a molecular weight of 382.43 g/mol, XLogP of 6.19, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10,13,15-tetrazaoctacyclo[13.12.3.02,7.08,28.09,14.016,21.022,30.025,29]triaconta-1(28),2,4,6,9,11,13,16,18,20,22(30),23,25(29),26-tetradecaene is sourced from PubChem (CID 163440225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).