1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,6,7,9,12,14,16(27),17,19,21,23,25-tetradecaene

C26H13N — CID 154935200

IUPAC1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,6,7,9,12,14,16(27),17,19,21,23,25-tetradecaene
SMILESC1=C=Cc2cc3c(cc2C=1)c1cccc2c4cc5ccccc5cc4n3c12
InChIInChI=1S/C26H13N/c1-3-8-18-14-24-22(12-16(18)6-1)20-10-5-11-21-23-13-17-7-2-4-9-19(17)15-25(23)27(24)26(20)21/h1,3,5-15H
InChIKeyKSGAZSYYBZOUKH-UHFFFAOYSA-N
MW339.40 g/mol
LogP6.78
Rot. Bonds

About 1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,6,7,9,12,14,16(27),17,19,21,23,25-tetradecaene

1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,6,7,9,12,14,16(27),17,19,21,23,25-tetradecaene (PubChem CID 154935200) has the molecular formula C26H13N and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,6,7,9,12,14,16(27),17,19,21,23,25-tetradecaene.

Molecular Properties

Compound Name1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,6,7,9,12,14,16(27),17,19,21,23,25-tetradecaene
PubChem CID154935200
Molecular FormulaC26H13N
Molecular Weight339.40 g/mol
Exact Mass339.10
IUPAC Name1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,6,7,9,12,14,16(27),17,19,21,23,25-tetradecaene
SMILESC1=C=Cc2cc3c(cc2C=1)c1cccc2c4cc5ccccc5cc4n3c12
InChIInChI=1S/C26H13N/c1-3-8-18-14-24-22(12-16(18)6-1)20-10-5-11-21-23-13-17-7-2-4-9-19(17)15-25(23)27(24)26(20)21/h1,3,5-15H
InChIKeyKSGAZSYYBZOUKH-UHFFFAOYSA-N
XLogP6.78
TPSA4.41 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.40
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,6,7,9,12,14,16(27),17,19,21,23,25-tetradecaene with MolForge

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Related Compounds

2,18-diazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1(32),3,5,7,9,11,13(34),14,16,19,21,23,25,27,29(33),30-hexadecaene
CID 171595191
1-azapentadecacyclo[32.28.1.02,29.04,27.06,25.07,12.013,18.019,24.030,63.035,62.037,60.039,58.040,45.046,51.052,57]trihexaconta-2(29),3,5,7,9,11,13,15,17,19,21,23,25,27,30(63),31,33,35(62),36,38,40,42,44,46,48,50,52,54,56,58,60-hentriacontaene
CID 170211005
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
26-oxa-1-azaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.020,25]triaconta-2,4,6,8,10,12(30),13,15,17(29),18,20,22,24,27-tetradecaene
CID 146376243
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
5,38-diazaheptadecacyclo[36.28.1.15,30.02,37.04,35.06,29.08,27.09,14.015,20.021,26.039,62.041,60.042,47.048,53.054,59.063,67.034,68]octahexaconta-1(66),2,4(35),6(29),7,9,11,13,15,17,19,21,23,25,27,30(68),31,33,36,39(62),40,42,44,46,48,50,52,54,56,58,60,63(67),64-tritriacontaene
CID 170210969
16-(9-phenylcarbazol-3-yl)-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(23),2,4,6,8,10,13(18),14,16,19,21-undecaene
CID 153449380
16-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(23),2,4,6,8,10,13(18),14,16,19,21-undecaene
CID 155312222
13-pyren-2-yl-1,13-diazaoctacyclo[17.10.1.02,18.04,16.06,14.07,12.023,30.024,29]triaconta-2,4,6(14),7,9,11,15,17,19,21,23(30),24,26,28-tetradecaene
CID 142323872
12,31-diazaundecacyclo[18.17.1.12,12.13,7.013,18.021,30.023,28.031,38.032,37.011,40.019,39]tetraconta-1(38),2(39),3,5,7(40),8,10,13,15,17,19,21,23,25,27,29,32,34,36-nonadecaene
CID 177115297
12-(4-phenylphenyl)-12,19-diazaheptacyclo[17.10.1.02,11.04,9.013,18.020,25.026,30]triaconta-1(29),2,4,6,8,10,13,15,17,20,22,24,26(30),27-tetradecaene
CID 153245817
14-pyren-1-yl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12,14,16(27),17,19,21,23,25-tridecaene
CID 164772388

Frequently Asked Questions

What is the IUPAC name of 1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,6,7,9,12,14,16(27),17,19,21,23,25-tetradecaene?
The IUPAC name of 1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,6,7,9,12,14,16(27),17,19,21,23,25-tetradecaene (CID 154935200) is 1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,6,7,9,12,14,16(27),17,19,21,23,25-tetradecaene.
What is the SMILES notation for 1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,6,7,9,12,14,16(27),17,19,21,23,25-tetradecaene?
The canonical SMILES for 1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,6,7,9,12,14,16(27),17,19,21,23,25-tetradecaene is C1=C=Cc2cc3c(cc2C=1)c1cccc2c4cc5ccccc5cc4n3c12.
What is the InChIKey of 1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,6,7,9,12,14,16(27),17,19,21,23,25-tetradecaene?
The InChIKey is KSGAZSYYBZOUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H13N/c1-3-8-18-14-24-22(12-16(18)6-1)20-10-5-11-21-23-13-17-7-2-4-9-19(17)15-25(23)27(24)26(20)21/h1,3,5-15H.
What are the key properties of 1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,6,7,9,12,14,16(27),17,19,21,23,25-tetradecaene?
1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,6,7,9,12,14,16(27),17,19,21,23,25-tetradecaene has a molecular weight of 339.40 g/mol, XLogP of 6.78, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,6,7,9,12,14,16(27),17,19,21,23,25-tetradecaene is sourced from PubChem (CID 154935200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).