11-methyl-4-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene;18-methyl-21-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17,19,21,24-dodecaene;21-methyl-18-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,24-dodecaene;21-methyl-25-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;21-methyl-3,25-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene;18-methylhexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17,19,21,24-dodecaene;21-methylhexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,24-dodecaene

C180H122N6 — CID 163808256

IUPAC11-methyl-4-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene;18-methyl-21-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17,19,21,24-dodecaene;21-methyl-18-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,24-dodecaene;21-methyl-25-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;21-methyl-3,25-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene;18-methylhexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17,19,21,24-dodecaene;21-methylhexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,24-dodecaene
SMILESCc1c2c(nc3ccccc13)-c1c(ccc3c4ccccc4c4ccccc4c13)C2.Cc1cccc2c1Cc1c-2ccc2c3ccccc3c3ccccc3c12.Cc1cccc2c1Cc1cc3c4ccccc4c4ccccc4c3cc1-2.Cc1cccc2c1Cc1nc3c(cc1-2)c1ccccc1c1cccnc13.Cc1cccc2c1Cc1nc3c4ccccc4c4ccccc4c3cc1-2.Cc1ccnc2c1Cc1c-2ccc2c3ccccc3c3ccccc3c12.Cc1ccnc2c1Cc1cc3c4ccccc4c4ccccc4c3cc1-2
InChIInChI=1S/C29H19N.2C26H18.3C25H17N.C24H16N2/c1-17-19-8-6-7-13-26(19)30-29-25(17)16-18-14-15-24-22-11-3-2-9-20(22)21-10-4-5-12-23(21)28(24)27(18)29;1-16-7-6-12-22-23(16)13-17-14-25-20-10-4-2-8-18(20)19-9-3-5-11-21(19)26(25)15-24(17)22;1-16-7-6-12-20-21-13-14-23-19-10-3-2-8-17(19)18-9-4-5-11-22(18)26(23)25(21)15-24(16)20;1-15-10-11-26-25-21(15)12-16-13-23-19-8-4-2-6-17(19)18-7-3-5-9-20(18)24(23)14-22(16)25;1-15-7-6-12-19-21(15)14-24-22(19)13-23-18-10-3-2-8-16(18)17-9-4-5-11-20(17)25(23)26-24;1-15-12-13-26-25-21-11-10-20-18-8-3-2-6-16(18)17-7-4-5-9-19(17)24(20)23(21)14-22(15)25;1-14-6-4-9-17-19(14)13-22-20(17)12-21-16-8-3-2-7-15(16)18-10-5-11-25-23(18)24(21)26-22/h2-15H,16H2,1H3;2-12,14-15H,13H2,1H3;2-14H,15H2,1H3;2-11,13-14H,12H2,1H3;2*2-13H,14H2,1H3;2-12H,13H2,1H3
InChIKeyNKYOAFWWILYUTB-UHFFFAOYSA-N
MW2369.00 g/mol
LogP46.70
Rot. Bonds

About 11-methyl-4-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene;18-methyl-21-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17,19,21,24-dodecaene;21-methyl-18-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,24-dodecaene;21-methyl-25-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;21-methyl-3,25-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene;18-methylhexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17,19,21,24-dodecaene;21-methylhexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,24-dodecaene

11-methyl-4-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene;18-methyl-21-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17,19,21,24-dodecaene;21-methyl-18-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,24-dodecaene;21-methyl-25-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;21-methyl-3,25-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene;18-methylhexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17,19,21,24-dodecaene;21-methylhexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,24-dodecaene (PubChem CID 163808256) has the molecular formula C180H122N6 and a molecular weight of 2369.00 g/mol. Its IUPAC name is 11-methyl-4-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene;18-methyl-21-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17,19,21,24-dodecaene;21-methyl-18-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,24-dodecaene;21-methyl-25-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;21-methyl-3,25-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene;18-methylhexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17,19,21,24-dodecaene;21-methylhexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,24-dodecaene.

Molecular Properties

Compound Name11-methyl-4-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene;18-methyl-21-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17,19,21,24-dodecaene;21-methyl-18-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,24-dodecaene;21-methyl-25-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;21-methyl-3,25-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene;18-methylhexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17,19,21,24-dodecaene;21-methylhexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,24-dodecaene
PubChem CID163808256
Molecular FormulaC180H122N6
Molecular Weight2369.00 g/mol
Exact Mass2366.97
IUPAC Name11-methyl-4-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene;18-methyl-21-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17,19,21,24-dodecaene;21-methyl-18-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,24-dodecaene;21-methyl-25-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;21-methyl-3,25-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene;18-methylhexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17,19,21,24-dodecaene;21-methylhexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,24-dodecaene
SMILESCc1c2c(nc3ccccc13)-c1c(ccc3c4ccccc4c4ccccc4c13)C2.Cc1cccc2c1Cc1c-2ccc2c3ccccc3c3ccccc3c12.Cc1cccc2c1Cc1cc3c4ccccc4c4ccccc4c3cc1-2.Cc1cccc2c1Cc1nc3c(cc1-2)c1ccccc1c1cccnc13.Cc1cccc2c1Cc1nc3c4ccccc4c4ccccc4c3cc1-2.Cc1ccnc2c1Cc1c-2ccc2c3ccccc3c3ccccc3c12.Cc1ccnc2c1Cc1cc3c4ccccc4c4ccccc4c3cc1-2
InChIInChI=1S/C29H19N.2C26H18.3C25H17N.C24H16N2/c1-17-19-8-6-7-13-26(19)30-29-25(17)16-18-14-15-24-22-11-3-2-9-20(22)21-10-4-5-12-23(21)28(24)27(18)29;1-16-7-6-12-22-23(16)13-17-14-25-20-10-4-2-8-18(20)19-9-3-5-11-21(19)26(25)15-24(17)22;1-16-7-6-12-20-21-13-14-23-19-10-3-2-8-17(19)18-9-4-5-11-22(18)26(23)25(21)15-24(16)20;1-15-10-11-26-25-21(15)12-16-13-23-19-8-4-2-6-17(19)18-7-3-5-9-20(18)24(23)14-22(16)25;1-15-7-6-12-19-21(15)14-24-22(19)13-23-18-10-3-2-8-16(18)17-9-4-5-11-20(17)25(23)26-24;1-15-12-13-26-25-21-11-10-20-18-8-3-2-6-16(18)17-7-4-5-9-19(17)24(20)23(21)14-22(15)25;1-14-6-4-9-17-19(14)13-22-20(17)12-21-16-8-3-2-7-15(16)18-10-5-11-25-23(18)24(21)26-22/h2-15H,16H2,1H3;2-12,14-15H,13H2,1H3;2-14H,15H2,1H3;2-11,13-14H,12H2,1H3;2*2-13H,14H2,1H3;2-12H,13H2,1H3
InChIKeyNKYOAFWWILYUTB-UHFFFAOYSA-N
XLogP46.70
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms186
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002369.00
LogP ≤ 546.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 11-methyl-4-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene;18-methyl-21-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17,19,21,24-dodecaene;21-methyl-18-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,24-dodecaene;21-methyl-25-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;21-methyl-3,25-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene;18-methylhexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17,19,21,24-dodecaene;21-methylhexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,24-dodecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 11-methyl-4-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene;18-methyl-21-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17,19,21,24-dodecaene;21-methyl-18-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,24-dodecaene;21-methyl-25-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;21-methyl-3,25-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene;18-methylhexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17,19,21,24-dodecaene;21-methylhexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,24-dodecaene?
The IUPAC name of 11-methyl-4-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene;18-methyl-21-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17,19,21,24-dodecaene;21-methyl-18-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,24-dodecaene;21-methyl-25-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;21-methyl-3,25-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene;18-methylhexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17,19,21,24-dodecaene;21-methylhexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,24-dodecaene (CID 163808256) is 11-methyl-4-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene;18-methyl-21-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17,19,21,24-dodecaene;21-methyl-18-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,24-dodecaene;21-methyl-25-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;21-methyl-3,25-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene;18-methylhexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17,19,21,24-dodecaene;21-methylhexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,24-dodecaene.
What is the SMILES notation for 11-methyl-4-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene;18-methyl-21-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17,19,21,24-dodecaene;21-methyl-18-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,24-dodecaene;21-methyl-25-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;21-methyl-3,25-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene;18-methylhexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17,19,21,24-dodecaene;21-methylhexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,24-dodecaene?
The canonical SMILES for 11-methyl-4-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene;18-methyl-21-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17,19,21,24-dodecaene;21-methyl-18-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,24-dodecaene;21-methyl-25-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;21-methyl-3,25-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene;18-methylhexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17,19,21,24-dodecaene;21-methylhexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,24-dodecaene is Cc1c2c(nc3ccccc13)-c1c(ccc3c4ccccc4c4ccccc4c13)C2.Cc1cccc2c1Cc1c-2ccc2c3ccccc3c3ccccc3c12.Cc1cccc2c1Cc1cc3c4ccccc4c4ccccc4c3cc1-2.Cc1cccc2c1Cc1nc3c(cc1-2)c1ccccc1c1cccnc13.Cc1cccc2c1Cc1nc3c4ccccc4c4ccccc4c3cc1-2.Cc1ccnc2c1Cc1c-2ccc2c3ccccc3c3ccccc3c12.Cc1ccnc2c1Cc1cc3c4ccccc4c4ccccc4c3cc1-2.
What is the InChIKey of 11-methyl-4-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene;18-methyl-21-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17,19,21,24-dodecaene;21-methyl-18-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,24-dodecaene;21-methyl-25-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;21-methyl-3,25-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene;18-methylhexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17,19,21,24-dodecaene;21-methylhexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,24-dodecaene?
The InChIKey is NKYOAFWWILYUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19N.2C26H18.3C25H17N.C24H16N2/c1-17-19-8-6-7-13-26(19)30-29-25(17)16-18-14-15-24-22-11-3-2-9-20(22)21-10-4-5-12-23(21)28(24)27(18)29;1-16-7-6-12-22-23(16)13-17-14-25-20-10-4-2-8-18(20)19-9-3-5-11-21(19)26(25)15-24(17)22;1-16-7-6-12-20-21-13-14-23-19-10-3-2-8-17(19)18-9-4-5-11-22(18)26(23)25(21)15-24(16)20;1-15-10-11-26-25-21(15)12-16-13-23-19-8-4-2-6-17(19)18-7-3-5-9-20(18)24(23)14-22(16)25;1-15-7-6-12-19-21(15)14-24-22(19)13-23-18-10-3-2-8-16(18)17-9-4-5-11-20(17)25(23)26-24;1-15-12-13-26-25-21-11-10-20-18-8-3-2-6-16(18)17-7-4-5-9-19(17)24(20)23(21)14-22(15)25;1-14-6-4-9-17-19(14)13-22-20(17)12-21-16-8-3-2-7-15(16)18-10-5-11-25-23(18)24(21)26-22/h2-15H,16H2,1H3;2-12,14-15H,13H2,1H3;2-14H,15H2,1H3;2-11,13-14H,12H2,1H3;2*2-13H,14H2,1H3;2-12H,13H2,1H3.
What are the key properties of 11-methyl-4-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene;18-methyl-21-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17,19,21,24-dodecaene;21-methyl-18-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,24-dodecaene;21-methyl-25-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;21-methyl-3,25-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene;18-methylhexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17,19,21,24-dodecaene;21-methylhexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,24-dodecaene?
11-methyl-4-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene;18-methyl-21-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17,19,21,24-dodecaene;21-methyl-18-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,24-dodecaene;21-methyl-25-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;21-methyl-3,25-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene;18-methylhexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17,19,21,24-dodecaene;21-methylhexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,24-dodecaene has a molecular weight of 2369.00 g/mol, XLogP of 46.70, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-4-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene;18-methyl-21-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17,19,21,24-dodecaene;21-methyl-18-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,24-dodecaene;21-methyl-25-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;21-methyl-3,25-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene;18-methylhexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17,19,21,24-dodecaene;21-methylhexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,24-dodecaene is sourced from PubChem (CID 163808256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).