3,9,14,18,24,29-hexadeuterio-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene

C30H16N2 — CID 164841475

IUPAC3,9,14,18,24,29-hexadeuterio-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene
SMILES[2H]c1ccc2c(c1)c1cc([2H])cc3c4c([2H])c5c(c([2H])c4n2c13)c1cc([2H])cc2c3cc([2H])ccc3n5c21
InChIInChI=1S/C30H16N2/c1-3-13-25-17(7-1)19-9-5-11-21-23-16-28-24(15-27(23)31(25)29(19)21)22-12-6-10-20-18-8-2-4-14-26(18)32(28)30(20)22/h1-16H/i1D,2D,5D,6D,15D,16D
InChIKeyARGDZBVLESXRAI-NRFKKIJUSA-N
MW410.51 g/mol
LogP7.99
Rot. Bonds

About 3,9,14,18,24,29-hexadeuterio-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene

3,9,14,18,24,29-hexadeuterio-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene (PubChem CID 164841475) has the molecular formula C30H16N2 and a molecular weight of 410.51 g/mol. Its IUPAC name is 3,9,14,18,24,29-hexadeuterio-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene.

Molecular Properties

Compound Name3,9,14,18,24,29-hexadeuterio-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene
PubChem CID164841475
Molecular FormulaC30H16N2
Molecular Weight410.51 g/mol
Exact Mass410.17
IUPAC Name3,9,14,18,24,29-hexadeuterio-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene
SMILES[2H]c1ccc2c(c1)c1cc([2H])cc3c4c([2H])c5c(c([2H])c4n2c13)c1cc([2H])cc2c3cc([2H])ccc3n5c21
InChIInChI=1S/C30H16N2/c1-3-13-25-17(7-1)19-9-5-11-21-23-16-28-24(15-27(23)31(25)29(19)21)22-12-6-10-20-18-8-2-4-14-26(18)32(28)30(20)22/h1-16H/i1D,2D,5D,6D,15D,16D
InChIKeyARGDZBVLESXRAI-NRFKKIJUSA-N
XLogP7.99
TPSA8.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.51
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,9,14,18,24,29-hexadeuterio-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene with MolForge

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Related Compounds

19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 12951299
3,7,8,9,10,13,14,15,18,22,23,24,25,28,29,30-hexadecadeuterio-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene
CID 164841227
7,24-diazadecacyclo[22.10.1.17,14.02,23.03,20.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(34),2(23),3(20),4,6(19),8,10,12,14(36),15,17,21,25,27,29,31(35),32-heptadecaene
CID 138506886
19,28-diazaundecacyclo[26.10.1.18,12.02,27.03,24.06,23.07,20.013,18.029,34.035,39.019,40]tetraconta-1(38),2(27),3(24),4,6(23),7(20),8,10,12(40),13,15,17,21,25,29,31,33,35(39),36-nonadecaene
CID 138507041
9-N,9-N,24-N,24-N-tetrakis(4-deuteriophenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-9,24-diamine
CID 164841452
1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene;ethane
CID 167576917
4,20,32-triazaundecacyclo[18.16.1.14,11.121,25.02,19.03,16.05,10.026,31.033,37.015,39.032,38]nonatriaconta-1(37),2(19),3(16),5,7,9,11(39),12,14,17,21,23,25(38),26,28,30,33,35-octadecaene
CID 171595081
25-methyl-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14,16,18,21,23,25,27,29-pentadecaene
CID 168811096
4-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2,5,7,9,11(18),12,14,16-octaene
CID 163298313
5-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 59221908
5-chloro-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 130456935
6,13-diazahexacyclo[11.10.1.02,6.07,12.014,19.020,24]tetracosa-1(23),2,4,7,9,11,14,16,18,20(24),21-undecaene
CID 121385973

Frequently Asked Questions

What is the IUPAC name of 3,9,14,18,24,29-hexadeuterio-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene?
The IUPAC name of 3,9,14,18,24,29-hexadeuterio-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene (CID 164841475) is 3,9,14,18,24,29-hexadeuterio-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene.
What is the SMILES notation for 3,9,14,18,24,29-hexadeuterio-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene?
The canonical SMILES for 3,9,14,18,24,29-hexadeuterio-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene is [2H]c1ccc2c(c1)c1cc([2H])cc3c4c([2H])c5c(c([2H])c4n2c13)c1cc([2H])cc2c3cc([2H])ccc3n5c21.
What is the InChIKey of 3,9,14,18,24,29-hexadeuterio-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene?
The InChIKey is ARGDZBVLESXRAI-NRFKKIJUSA-N. The full InChI is InChI=1S/C30H16N2/c1-3-13-25-17(7-1)19-9-5-11-21-23-16-28-24(15-27(23)31(25)29(19)21)22-12-6-10-20-18-8-2-4-14-26(18)32(28)30(20)22/h1-16H/i1D,2D,5D,6D,15D,16D.
What are the key properties of 3,9,14,18,24,29-hexadeuterio-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene?
3,9,14,18,24,29-hexadeuterio-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene has a molecular weight of 410.51 g/mol, XLogP of 7.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9,14,18,24,29-hexadeuterio-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene is sourced from PubChem (CID 164841475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).