1,5-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.028,31.016,32]dotriaconta-2(19),3,6,8,10,12(32),13,15,17,20(31),21,23,25,27,29-pentadecaene

C30H16N2 — CID 162480485

IUPAC1,5-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.028,31.016,32]dotriaconta-2(19),3,6,8,10,12(32),13,15,17,20(31),21,23,25,27,29-pentadecaene
SMILESc1ccc2c(c1)cc1ccn3c4cc5c(cc4c2c13)c1cccc2c3ccccc3n5c21
InChIInChI=1S/C30H16N2/c1-2-7-19-17(6-1)14-18-12-13-31-26-16-27-23(15-24(26)28(19)29(18)31)22-10-5-9-21-20-8-3-4-11-25(20)32(27)30(21)22/h1-16H
InChIKeyAAVASAPNMMFNAE-UHFFFAOYSA-N
MW404.47 g/mol
LogP7.99
Rot. Bonds

About 1,5-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.028,31.016,32]dotriaconta-2(19),3,6,8,10,12(32),13,15,17,20(31),21,23,25,27,29-pentadecaene

1,5-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.028,31.016,32]dotriaconta-2(19),3,6,8,10,12(32),13,15,17,20(31),21,23,25,27,29-pentadecaene (PubChem CID 162480485) has the molecular formula C30H16N2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 1,5-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.028,31.016,32]dotriaconta-2(19),3,6,8,10,12(32),13,15,17,20(31),21,23,25,27,29-pentadecaene.

Molecular Properties

Compound Name1,5-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.028,31.016,32]dotriaconta-2(19),3,6,8,10,12(32),13,15,17,20(31),21,23,25,27,29-pentadecaene
PubChem CID162480485
Molecular FormulaC30H16N2
Molecular Weight404.47 g/mol
Exact Mass404.13
IUPAC Name1,5-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.028,31.016,32]dotriaconta-2(19),3,6,8,10,12(32),13,15,17,20(31),21,23,25,27,29-pentadecaene
SMILESc1ccc2c(c1)cc1ccn3c4cc5c(cc4c2c13)c1cccc2c3ccccc3n5c21
InChIInChI=1S/C30H16N2/c1-2-7-19-17(6-1)14-18-12-13-31-26-16-27-23(15-24(26)28(19)29(18)31)22-10-5-9-21-20-8-3-4-11-25(20)32(27)30(21)22/h1-16H
InChIKeyAAVASAPNMMFNAE-UHFFFAOYSA-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 ≤ 500404.47
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,5-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.028,31.016,32]dotriaconta-2(19),3,6,8,10,12(32),13,15,17,20(31),21,23,25,27,29-pentadecaene with MolForge

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Related Compounds

1,5-diazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.022,27.028,39.029,38.031,36.016,40]tetraconta-2(19),3,6,8,10,12(40),13,15,17,20,22,24,26,28(39),29,31,33,35,37-nonadecaene
CID 162480295
26-phenyl-5,20,26-triazadecacyclo[18.13.1.15,12.02,19.04,17.06,11.023,34.025,33.027,32.016,35]pentatriaconta-1(34),2(19),3,6,8,10,12(35),13,15,17,21,23,25(33),27,29,31-hexadecaene
CID 162480374
1,5-diazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,26.028,39.029,38.030,35.016,40]tetraconta-2(19),3,6,8,10,12(40),13,15,17,20(39),21,23,25,27,29(38),30,32,34,36-nonadecaene;1,5-diazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,26.028,39.029,38.031,36.016,40]tetraconta-2(19),3,6,8,10,12(40),13,15,17,20(39),21,23,25,27,29,31,33,35,37-nonadecaene;1,5-diazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.022,27.028,39.029,38.031,36.016,40]tetraconta-2(19),3,6,8,10,12(40),13,15,17,20,22,24,26,28(39),29,31,33,35,37-nonadecaene;1,5-diazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.07,12.028,39.029,38.030,35.020,40]tetraconta-2(23),3,6(15),7,9,11,13,16(40),17,19,21,24(39),25,27,29(38),30,32,34,36-nonadecaene;1,5-diazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,30.032,39.033,38.020,40]tetraconta-2(23),3,6,8,10,12,14,16(40),17,19,21,24(39),25,27,29,31,33,35,37-nonadecaene;1,5-diazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.026,31.032,39.033,38.020,40]tetraconta-2(23),3,6,8,10,12,14,16(40),17,19,21,24,26,28,30,32(39),33,35,37-nonadecaene;1,5-diazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.028,39.029,38.030,35.020,40]tetraconta-2(23),3,6,8,10,12,14,16(40),17,19,21,24(39),25,27,29(38),30,32,34,36-nonadecaene;1,5-diazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.09,14.025,30.032,39.033,38.020,40]tetraconta-2(23),3,6(15),7,9,11,13,16,18,20(40),21,24(39),25,27,29,31,33,35,37-nonadecaene;1,5-diazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.09,14.026,31.032,39.033,38.020,40]tetraconta-2(23),3,6(15),7,9,11,13,16,18,20(40),21,24,26,28,30,32(39),33,35,37-nonadecaene;1,5-diazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.09,14.028,39.029,38.030,35.020,40]tetraconta-2(23),3,6(15),7,9,11,13,16,18,20(40),21,24(39),25,27,29(38),30,32,34,36-nonadecaene
CID 163772543
17,24-diazadecacyclo[22.10.1.16,10.02,23.03,20.05,18.011,16.025,30.031,35.017,36]hexatriaconta-1(34),2(23),3,5(18),6,8,10(36),11,13,15,19,21,25,27,29,31(35),32-heptadecaene
CID 176726685
12-oxa-1,38-diazadodecacyclo[21.18.1.127,31.02,14.05,13.06,11.015,42.016,21.024,41.026,39.032,37.038,43]tritetraconta-2(14),3,5(13),6,8,10,15(42),16,18,20,22,24(41),25,27,29,31(43),32,34,36,39-icosaene
CID 162480187
19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 12951299
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
31-phenyl-5,20,31-triazadecacyclo[18.13.1.15,12.02,19.04,17.06,11.023,34.024,32.025,30.016,35]pentatriaconta-1(33),2(19),3,6,8,10,12(35),13,15,17,21,23(34),24(32),25,27,29-hexadecaene
CID 162480380
9,31-dimethyl-5,9,27,31-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.010,15.028,40.030,38.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,10,12,14,16,19(46),20,22,25,28(40),29,32,34,36,38,41(45),42-henicosaene;15,37-dimethyl-5,15,27,37-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.09,14.028,40.030,38.031,36.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9,11,13,16,19(46),20,22,25,28(40),29,31,33,35,38,41(45),42-henicosaene
CID 165036844
1,5-diazanonacyclo[19.11.1.15,13.02,20.04,18.06,11.025,33.027,32.017,34]tetratriaconta-2(20),3,6,8,10,13,15,17(34),18,21(33),22,24,27,29,31-pentadecaene-12,26-dione
CID 168832329
15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.07,12.020,25.026,30]triaconta-1(29),2,4(16),5,7,9,11,13,17,20,22,24,26(30),27-tetradecaene
CID 166921790
N,N-diphenyl-5,20-diazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,30.023,28.031,39.032,37.016,40]tetraconta-1(38),2(19),3,6,8,10,12(40),13,15,17,21,23,25,27,29,31(39),32,34,36-nonadecaen-22-amine
CID 169056213

Frequently Asked Questions

What is the IUPAC name of 1,5-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.028,31.016,32]dotriaconta-2(19),3,6,8,10,12(32),13,15,17,20(31),21,23,25,27,29-pentadecaene?
The IUPAC name of 1,5-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.028,31.016,32]dotriaconta-2(19),3,6,8,10,12(32),13,15,17,20(31),21,23,25,27,29-pentadecaene (CID 162480485) is 1,5-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.028,31.016,32]dotriaconta-2(19),3,6,8,10,12(32),13,15,17,20(31),21,23,25,27,29-pentadecaene.
What is the SMILES notation for 1,5-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.028,31.016,32]dotriaconta-2(19),3,6,8,10,12(32),13,15,17,20(31),21,23,25,27,29-pentadecaene?
The canonical SMILES for 1,5-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.028,31.016,32]dotriaconta-2(19),3,6,8,10,12(32),13,15,17,20(31),21,23,25,27,29-pentadecaene is c1ccc2c(c1)cc1ccn3c4cc5c(cc4c2c13)c1cccc2c3ccccc3n5c21.
What is the InChIKey of 1,5-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.028,31.016,32]dotriaconta-2(19),3,6,8,10,12(32),13,15,17,20(31),21,23,25,27,29-pentadecaene?
The InChIKey is AAVASAPNMMFNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H16N2/c1-2-7-19-17(6-1)14-18-12-13-31-26-16-27-23(15-24(26)28(19)29(18)31)22-10-5-9-21-20-8-3-4-11-25(20)32(27)30(21)22/h1-16H.
What are the key properties of 1,5-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.028,31.016,32]dotriaconta-2(19),3,6,8,10,12(32),13,15,17,20(31),21,23,25,27,29-pentadecaene?
1,5-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.028,31.016,32]dotriaconta-2(19),3,6,8,10,12(32),13,15,17,20(31),21,23,25,27,29-pentadecaene has a molecular weight of 404.47 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 1,5-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.028,31.016,32]dotriaconta-2(19),3,6,8,10,12(32),13,15,17,20(31),21,23,25,27,29-pentadecaene is sourced from PubChem (CID 162480485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).