4-methyl-12-azahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;4-methyl-12-azahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaene;17-methyl-16-azahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1(14),2(11),3,5,7,9,12,15(24),16,18,20,22-dodecaene;23-methyl-16-azahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15,17,19,21,23-dodecaene;4-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1,3,5(10),6,8,11,13,15,17,19,21,23-dodecaene;4-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1,3,5(10),6,8,11,13,15(24),16,18,20,22-dodecaene;17-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1,3,5(10),6,8,11,13,15(24),16,18,20,22-dodecaene;23-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1,3,5(10),6,8,11,13,15,17,19,21,23-dodecaene

C196H132N12 — CID 159256610

IUPAC4-methyl-12-azahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;4-methyl-12-azahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaene;17-methyl-16-azahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1(14),2(11),3,5,7,9,12,15(24),16,18,20,22-dodecaene;23-methyl-16-azahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15,17,19,21,23-dodecaene;4-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1,3,5(10),6,8,11,13,15,17,19,21,23-dodecaene;4-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1,3,5(10),6,8,11,13,15(24),16,18,20,22-dodecaene;17-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1,3,5(10),6,8,11,13,15(24),16,18,20,22-dodecaene;23-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1,3,5(10),6,8,11,13,15,17,19,21,23-dodecaene
SMILESCc1c2c(cc3ccccc13)-c1cnc3c(ccc4cccnc43)c1C2.Cc1c2c(nc3ccccc13)-c1ccc3c(ccc4ccccc43)c1C2.Cc1cc2c(c3ccccc13)Cc1c-2cnc2c1ccc1cccnc12.Cc1cc2c3c(cnc2c2ccccc12)-c1cc2ccccc2cc1C3.Cc1cc2c3c(cnc2c2ccccc12)-c1ccc2ccccc2c1C3.Cc1cc2c3c(cnc2c2ncccc12)-c1cc2ccccc2cc1C3.Cc1cc2c3c(cnc2c2ncccc12)-c1ccc2ccccc2c1C3.Cc1nc2c(c3ccccc13)Cc1c-2ccc2c1ccc1ccccc12
InChIInChI=1S/4C25H17N.4C24H16N2/c1-15-12-23-22-13-21-18-8-3-2-6-16(18)10-11-19(21)24(22)14-26-25(23)20-9-5-4-7-17(15)20;1-15-17-7-4-5-9-24(17)26-25-21-13-12-19-18-8-3-2-6-16(18)10-11-20(19)23(21)14-22(15)25;1-15-17-7-4-5-9-19(17)24-14-23-21-11-10-16-6-2-3-8-18(16)20(21)12-13-22(23)25(24)26-15;1-15-10-23-22-13-18-11-16-6-2-3-7-17(16)12-21(18)24(22)14-26-25(23)20-9-5-4-8-19(15)20;1-14-11-19-20(17-7-3-2-6-16(14)17)12-21-18-9-8-15-5-4-10-25-23(15)24(18)26-13-22(19)21;1-14-17-7-3-2-5-16(17)11-20-19(14)12-21-18-9-8-15-6-4-10-25-23(15)24(18)26-13-22(20)21;1-14-11-21-20-12-19-17-6-3-2-5-15(17)8-9-18(19)22(20)13-26-24(21)23-16(14)7-4-10-25-23;1-14-9-21-20-12-17-10-15-5-2-3-6-16(15)11-19(17)22(20)13-26-24(21)23-18(14)7-4-8-25-23/h2-12,14H,13H2,1H3;2*2-13H,14H2,1H3;2-12,14H,13H2,1H3;4*2-11,13H,12H2,1H3
InChIKeyKVYZWXQDUVCWME-UHFFFAOYSA-N
MW2655.30 g/mol
LogP48.95
Rot. Bonds

About 4-methyl-12-azahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;4-methyl-12-azahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaene;17-methyl-16-azahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1(14),2(11),3,5,7,9,12,15(24),16,18,20,22-dodecaene;23-methyl-16-azahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15,17,19,21,23-dodecaene;4-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1,3,5(10),6,8,11,13,15,17,19,21,23-dodecaene;4-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1,3,5(10),6,8,11,13,15(24),16,18,20,22-dodecaene;17-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1,3,5(10),6,8,11,13,15(24),16,18,20,22-dodecaene;23-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1,3,5(10),6,8,11,13,15,17,19,21,23-dodecaene

4-methyl-12-azahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;4-methyl-12-azahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaene;17-methyl-16-azahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1(14),2(11),3,5,7,9,12,15(24),16,18,20,22-dodecaene;23-methyl-16-azahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15,17,19,21,23-dodecaene;4-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1,3,5(10),6,8,11,13,15,17,19,21,23-dodecaene;4-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1,3,5(10),6,8,11,13,15(24),16,18,20,22-dodecaene;17-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1,3,5(10),6,8,11,13,15(24),16,18,20,22-dodecaene;23-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1,3,5(10),6,8,11,13,15,17,19,21,23-dodecaene (PubChem CID 159256610) has the molecular formula C196H132N12 and a molecular weight of 2655.30 g/mol. Its IUPAC name is 4-methyl-12-azahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;4-methyl-12-azahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaene;17-methyl-16-azahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1(14),2(11),3,5,7,9,12,15(24),16,18,20,22-dodecaene;23-methyl-16-azahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15,17,19,21,23-dodecaene;4-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1,3,5(10),6,8,11,13,15,17,19,21,23-dodecaene;4-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1,3,5(10),6,8,11,13,15(24),16,18,20,22-dodecaene;17-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1,3,5(10),6,8,11,13,15(24),16,18,20,22-dodecaene;23-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1,3,5(10),6,8,11,13,15,17,19,21,23-dodecaene.

Molecular Properties

Compound Name4-methyl-12-azahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;4-methyl-12-azahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaene;17-methyl-16-azahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1(14),2(11),3,5,7,9,12,15(24),16,18,20,22-dodecaene;23-methyl-16-azahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15,17,19,21,23-dodecaene;4-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1,3,5(10),6,8,11,13,15,17,19,21,23-dodecaene;4-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1,3,5(10),6,8,11,13,15(24),16,18,20,22-dodecaene;17-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1,3,5(10),6,8,11,13,15(24),16,18,20,22-dodecaene;23-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1,3,5(10),6,8,11,13,15,17,19,21,23-dodecaene
PubChem CID159256610
Molecular FormulaC196H132N12
Molecular Weight2655.30 g/mol
Exact Mass2653.07
IUPAC Name4-methyl-12-azahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;4-methyl-12-azahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaene;17-methyl-16-azahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1(14),2(11),3,5,7,9,12,15(24),16,18,20,22-dodecaene;23-methyl-16-azahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15,17,19,21,23-dodecaene;4-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1,3,5(10),6,8,11,13,15,17,19,21,23-dodecaene;4-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1,3,5(10),6,8,11,13,15(24),16,18,20,22-dodecaene;17-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1,3,5(10),6,8,11,13,15(24),16,18,20,22-dodecaene;23-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1,3,5(10),6,8,11,13,15,17,19,21,23-dodecaene
SMILESCc1c2c(cc3ccccc13)-c1cnc3c(ccc4cccnc43)c1C2.Cc1c2c(nc3ccccc13)-c1ccc3c(ccc4ccccc43)c1C2.Cc1cc2c(c3ccccc13)Cc1c-2cnc2c1ccc1cccnc12.Cc1cc2c3c(cnc2c2ccccc12)-c1cc2ccccc2cc1C3.Cc1cc2c3c(cnc2c2ccccc12)-c1ccc2ccccc2c1C3.Cc1cc2c3c(cnc2c2ncccc12)-c1cc2ccccc2cc1C3.Cc1cc2c3c(cnc2c2ncccc12)-c1ccc2ccccc2c1C3.Cc1nc2c(c3ccccc13)Cc1c-2ccc2c1ccc1ccccc12
InChIInChI=1S/4C25H17N.4C24H16N2/c1-15-12-23-22-13-21-18-8-3-2-6-16(18)10-11-19(21)24(22)14-26-25(23)20-9-5-4-7-17(15)20;1-15-17-7-4-5-9-24(17)26-25-21-13-12-19-18-8-3-2-6-16(18)10-11-20(19)23(21)14-22(15)25;1-15-17-7-4-5-9-19(17)24-14-23-21-11-10-16-6-2-3-8-18(16)20(21)12-13-22(23)25(24)26-15;1-15-10-23-22-13-18-11-16-6-2-3-7-17(16)12-21(18)24(22)14-26-25(23)20-9-5-4-8-19(15)20;1-14-11-19-20(17-7-3-2-6-16(14)17)12-21-18-9-8-15-5-4-10-25-23(15)24(18)26-13-22(19)21;1-14-17-7-3-2-5-16(17)11-20-19(14)12-21-18-9-8-15-6-4-10-25-23(15)24(18)26-13-22(20)21;1-14-11-21-20-12-19-17-6-3-2-5-15(17)8-9-18(19)22(20)13-26-24(21)23-16(14)7-4-10-25-23;1-14-9-21-20-12-17-10-15-5-2-3-6-16(15)11-19(17)22(20)13-26-24(21)23-18(14)7-4-8-25-23/h2-12,14H,13H2,1H3;2*2-13H,14H2,1H3;2-12,14H,13H2,1H3;4*2-11,13H,12H2,1H3
InChIKeyKVYZWXQDUVCWME-UHFFFAOYSA-N
XLogP48.95
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms208
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002655.30
LogP ≤ 548.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 4-methyl-12-azahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;4-methyl-12-azahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaene;17-methyl-16-azahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1(14),2(11),3,5,7,9,12,15(24),16,18,20,22-dodecaene;23-methyl-16-azahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15,17,19,21,23-dodecaene;4-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1,3,5(10),6,8,11,13,15,17,19,21,23-dodecaene;4-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1,3,5(10),6,8,11,13,15(24),16,18,20,22-dodecaene;17-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1,3,5(10),6,8,11,13,15(24),16,18,20,22-dodecaene;23-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1,3,5(10),6,8,11,13,15,17,19,21,23-dodecaene with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-methyl-12-azahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;4-methyl-12-azahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaene;17-methyl-16-azahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1(14),2(11),3,5,7,9,12,15(24),16,18,20,22-dodecaene;23-methyl-16-azahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15,17,19,21,23-dodecaene;4-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1,3,5(10),6,8,11,13,15,17,19,21,23-dodecaene;4-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1,3,5(10),6,8,11,13,15(24),16,18,20,22-dodecaene;17-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1,3,5(10),6,8,11,13,15(24),16,18,20,22-dodecaene;23-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1,3,5(10),6,8,11,13,15,17,19,21,23-dodecaene?
The IUPAC name of 4-methyl-12-azahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;4-methyl-12-azahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaene;17-methyl-16-azahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1(14),2(11),3,5,7,9,12,15(24),16,18,20,22-dodecaene;23-methyl-16-azahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15,17,19,21,23-dodecaene;4-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1,3,5(10),6,8,11,13,15,17,19,21,23-dodecaene;4-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1,3,5(10),6,8,11,13,15(24),16,18,20,22-dodecaene;17-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1,3,5(10),6,8,11,13,15(24),16,18,20,22-dodecaene;23-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1,3,5(10),6,8,11,13,15,17,19,21,23-dodecaene (CID 159256610) is 4-methyl-12-azahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;4-methyl-12-azahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaene;17-methyl-16-azahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1(14),2(11),3,5,7,9,12,15(24),16,18,20,22-dodecaene;23-methyl-16-azahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15,17,19,21,23-dodecaene;4-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1,3,5(10),6,8,11,13,15,17,19,21,23-dodecaene;4-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1,3,5(10),6,8,11,13,15(24),16,18,20,22-dodecaene;17-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1,3,5(10),6,8,11,13,15(24),16,18,20,22-dodecaene;23-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1,3,5(10),6,8,11,13,15,17,19,21,23-dodecaene.
What is the SMILES notation for 4-methyl-12-azahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;4-methyl-12-azahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaene;17-methyl-16-azahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1(14),2(11),3,5,7,9,12,15(24),16,18,20,22-dodecaene;23-methyl-16-azahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15,17,19,21,23-dodecaene;4-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1,3,5(10),6,8,11,13,15,17,19,21,23-dodecaene;4-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1,3,5(10),6,8,11,13,15(24),16,18,20,22-dodecaene;17-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1,3,5(10),6,8,11,13,15(24),16,18,20,22-dodecaene;23-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1,3,5(10),6,8,11,13,15,17,19,21,23-dodecaene?
The canonical SMILES for 4-methyl-12-azahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;4-methyl-12-azahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaene;17-methyl-16-azahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1(14),2(11),3,5,7,9,12,15(24),16,18,20,22-dodecaene;23-methyl-16-azahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15,17,19,21,23-dodecaene;4-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1,3,5(10),6,8,11,13,15,17,19,21,23-dodecaene;4-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1,3,5(10),6,8,11,13,15(24),16,18,20,22-dodecaene;17-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1,3,5(10),6,8,11,13,15(24),16,18,20,22-dodecaene;23-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1,3,5(10),6,8,11,13,15,17,19,21,23-dodecaene is Cc1c2c(cc3ccccc13)-c1cnc3c(ccc4cccnc43)c1C2.Cc1c2c(nc3ccccc13)-c1ccc3c(ccc4ccccc43)c1C2.Cc1cc2c(c3ccccc13)Cc1c-2cnc2c1ccc1cccnc12.Cc1cc2c3c(cnc2c2ccccc12)-c1cc2ccccc2cc1C3.Cc1cc2c3c(cnc2c2ccccc12)-c1ccc2ccccc2c1C3.Cc1cc2c3c(cnc2c2ncccc12)-c1cc2ccccc2cc1C3.Cc1cc2c3c(cnc2c2ncccc12)-c1ccc2ccccc2c1C3.Cc1nc2c(c3ccccc13)Cc1c-2ccc2c1ccc1ccccc12.
What is the InChIKey of 4-methyl-12-azahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;4-methyl-12-azahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaene;17-methyl-16-azahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1(14),2(11),3,5,7,9,12,15(24),16,18,20,22-dodecaene;23-methyl-16-azahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15,17,19,21,23-dodecaene;4-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1,3,5(10),6,8,11,13,15,17,19,21,23-dodecaene;4-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1,3,5(10),6,8,11,13,15(24),16,18,20,22-dodecaene;17-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1,3,5(10),6,8,11,13,15(24),16,18,20,22-dodecaene;23-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1,3,5(10),6,8,11,13,15,17,19,21,23-dodecaene?
The InChIKey is KVYZWXQDUVCWME-UHFFFAOYSA-N. The full InChI is InChI=1S/4C25H17N.4C24H16N2/c1-15-12-23-22-13-21-18-8-3-2-6-16(18)10-11-19(21)24(22)14-26-25(23)20-9-5-4-7-17(15)20;1-15-17-7-4-5-9-24(17)26-25-21-13-12-19-18-8-3-2-6-16(18)10-11-20(19)23(21)14-22(15)25;1-15-17-7-4-5-9-19(17)24-14-23-21-11-10-16-6-2-3-8-18(16)20(21)12-13-22(23)25(24)26-15;1-15-10-23-22-13-18-11-16-6-2-3-7-17(16)12-21(18)24(22)14-26-25(23)20-9-5-4-8-19(15)20;1-14-11-19-20(17-7-3-2-6-16(14)17)12-21-18-9-8-15-5-4-10-25-23(15)24(18)26-13-22(19)21;1-14-17-7-3-2-5-16(17)11-20-19(14)12-21-18-9-8-15-6-4-10-25-23(15)24(18)26-13-22(20)21;1-14-11-21-20-12-19-17-6-3-2-5-15(17)8-9-18(19)22(20)13-26-24(21)23-16(14)7-4-10-25-23;1-14-9-21-20-12-17-10-15-5-2-3-6-16(15)11-19(17)22(20)13-26-24(21)23-18(14)7-4-8-25-23/h2-12,14H,13H2,1H3;2*2-13H,14H2,1H3;2-12,14H,13H2,1H3;4*2-11,13H,12H2,1H3.
What are the key properties of 4-methyl-12-azahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;4-methyl-12-azahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaene;17-methyl-16-azahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1(14),2(11),3,5,7,9,12,15(24),16,18,20,22-dodecaene;23-methyl-16-azahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15,17,19,21,23-dodecaene;4-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1,3,5(10),6,8,11,13,15,17,19,21,23-dodecaene;4-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1,3,5(10),6,8,11,13,15(24),16,18,20,22-dodecaene;17-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1,3,5(10),6,8,11,13,15(24),16,18,20,22-dodecaene;23-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1,3,5(10),6,8,11,13,15,17,19,21,23-dodecaene?
4-methyl-12-azahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;4-methyl-12-azahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaene;17-methyl-16-azahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1(14),2(11),3,5,7,9,12,15(24),16,18,20,22-dodecaene;23-methyl-16-azahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15,17,19,21,23-dodecaene;4-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1,3,5(10),6,8,11,13,15,17,19,21,23-dodecaene;4-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1,3,5(10),6,8,11,13,15(24),16,18,20,22-dodecaene;17-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1,3,5(10),6,8,11,13,15(24),16,18,20,22-dodecaene;23-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1,3,5(10),6,8,11,13,15,17,19,21,23-dodecaene has a molecular weight of 2655.30 g/mol, XLogP of 48.95, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-12-azahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;4-methyl-12-azahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaene;17-methyl-16-azahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1(14),2(11),3,5,7,9,12,15(24),16,18,20,22-dodecaene;23-methyl-16-azahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15,17,19,21,23-dodecaene;4-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1,3,5(10),6,8,11,13,15,17,19,21,23-dodecaene;4-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1,3,5(10),6,8,11,13,15(24),16,18,20,22-dodecaene;17-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-1,3,5(10),6,8,11,13,15(24),16,18,20,22-dodecaene;23-methyl-9,12-diazahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-1,3,5(10),6,8,11,13,15,17,19,21,23-dodecaene is sourced from PubChem (CID 159256610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).