26-methyl-18,26-diazaheptacyclo[16.6.1.13,24.02,7.08,17.010,15.021,25]hexacosa-1(24),2(7),3,5,8,10,12,14,16,19,21(25),22-dodecaene

C25H16N2 — CID 167073746

IUPAC26-methyl-18,26-diazaheptacyclo[16.6.1.13,24.02,7.08,17.010,15.021,25]hexacosa-1(24),2(7),3,5,8,10,12,14,16,19,21(25),22-dodecaene
SMILESCn1c2cccc3c4cc5ccccc5cc4n4ccc5ccc1c(c32)c54
InChIInChI=1S/C25H16N2/c1-26-20-8-4-7-18-19-13-16-5-2-3-6-17(16)14-22(19)27-12-11-15-9-10-21(26)24(23(18)20)25(15)27/h2-14H,1H3
InChIKeyNOQQNZNJZOLHQT-UHFFFAOYSA-N
MW344.42 g/mol
LogP6.48
Rot. Bonds

About 26-methyl-18,26-diazaheptacyclo[16.6.1.13,24.02,7.08,17.010,15.021,25]hexacosa-1(24),2(7),3,5,8,10,12,14,16,19,21(25),22-dodecaene

26-methyl-18,26-diazaheptacyclo[16.6.1.13,24.02,7.08,17.010,15.021,25]hexacosa-1(24),2(7),3,5,8,10,12,14,16,19,21(25),22-dodecaene (PubChem CID 167073746) has the molecular formula C25H16N2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 26-methyl-18,26-diazaheptacyclo[16.6.1.13,24.02,7.08,17.010,15.021,25]hexacosa-1(24),2(7),3,5,8,10,12,14,16,19,21(25),22-dodecaene.

Molecular Properties

Compound Name26-methyl-18,26-diazaheptacyclo[16.6.1.13,24.02,7.08,17.010,15.021,25]hexacosa-1(24),2(7),3,5,8,10,12,14,16,19,21(25),22-dodecaene
PubChem CID167073746
Molecular FormulaC25H16N2
Molecular Weight344.42 g/mol
Exact Mass344.13
IUPAC Name26-methyl-18,26-diazaheptacyclo[16.6.1.13,24.02,7.08,17.010,15.021,25]hexacosa-1(24),2(7),3,5,8,10,12,14,16,19,21(25),22-dodecaene
SMILESCn1c2cccc3c4cc5ccccc5cc4n4ccc5ccc1c(c32)c54
InChIInChI=1S/C25H16N2/c1-26-20-8-4-7-18-19-13-16-5-2-3-6-17(16)14-22(19)27-12-11-15-9-10-21(26)24(23(18)20)25(15)27/h2-14H,1H3
InChIKeyNOQQNZNJZOLHQT-UHFFFAOYSA-N
XLogP6.48
TPSA9.34 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.42
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 26-methyl-18,26-diazaheptacyclo[16.6.1.13,24.02,7.08,17.010,15.021,25]hexacosa-1(24),2(7),3,5,8,10,12,14,16,19,21(25),22-dodecaene with MolForge

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Related Compounds

ethene;12-methyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 145210762
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
22-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14,22-diazahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,15,17(21),18-decaene
CID 155153229
25-methyl-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
CID 130325653
16-methyl-16-azaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4,6,8,10,12,14,17,19,21,23,25,27-tetradecaene
CID 126749251
12-methyl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;12-methyl-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;11-methylbenzo[a]carbazole;5-methylbenzo[b]carbazole;9-methylcarbazole
CID 163692832
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
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
7-methyl-N,N-diphenylbenzo[c]carbazol-11-amine
CID 126631213
9-methyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),2(10),3,5,7,11,13,15,17,19,21,23-dodecaene
CID 158780062
21,42,63-triazahexadecacyclo[42.19.0.02,22.03,16.05,14.07,12.017,21.023,43.024,37.026,35.028,33.038,42.045,58.047,56.049,54.059,63]trihexaconta-1(44),2(22),3,5,7,9,11,13,15,17,19,23(43),24,26,28,30,32,34,36,38,40,45,47,49,51,53,55,57,59,61-triacontaene;21,42,63-triazahexadecacyclo[42.19.0.02,22.03,16.06,15.08,13.017,21.023,43.024,37.027,36.029,34.038,42.045,58.048,57.050,55.059,63]trihexaconta-1(44),2(22),3(16),4,6,8,10,12,14,17,19,23(43),24(37),25,27,29,31,33,35,38,40,45(58),46,48,50,52,54,56,59,61-triacontaene
CID 159042705
22-(3-phenylquinoxalin-2-yl)-14,22-diazahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8(13),9,11,15,17(21),18-decaene
CID 140947093

Frequently Asked Questions

What is the IUPAC name of 26-methyl-18,26-diazaheptacyclo[16.6.1.13,24.02,7.08,17.010,15.021,25]hexacosa-1(24),2(7),3,5,8,10,12,14,16,19,21(25),22-dodecaene?
The IUPAC name of 26-methyl-18,26-diazaheptacyclo[16.6.1.13,24.02,7.08,17.010,15.021,25]hexacosa-1(24),2(7),3,5,8,10,12,14,16,19,21(25),22-dodecaene (CID 167073746) is 26-methyl-18,26-diazaheptacyclo[16.6.1.13,24.02,7.08,17.010,15.021,25]hexacosa-1(24),2(7),3,5,8,10,12,14,16,19,21(25),22-dodecaene.
What is the SMILES notation for 26-methyl-18,26-diazaheptacyclo[16.6.1.13,24.02,7.08,17.010,15.021,25]hexacosa-1(24),2(7),3,5,8,10,12,14,16,19,21(25),22-dodecaene?
The canonical SMILES for 26-methyl-18,26-diazaheptacyclo[16.6.1.13,24.02,7.08,17.010,15.021,25]hexacosa-1(24),2(7),3,5,8,10,12,14,16,19,21(25),22-dodecaene is Cn1c2cccc3c4cc5ccccc5cc4n4ccc5ccc1c(c32)c54.
What is the InChIKey of 26-methyl-18,26-diazaheptacyclo[16.6.1.13,24.02,7.08,17.010,15.021,25]hexacosa-1(24),2(7),3,5,8,10,12,14,16,19,21(25),22-dodecaene?
The InChIKey is NOQQNZNJZOLHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N2/c1-26-20-8-4-7-18-19-13-16-5-2-3-6-17(16)14-22(19)27-12-11-15-9-10-21(26)24(23(18)20)25(15)27/h2-14H,1H3.
What are the key properties of 26-methyl-18,26-diazaheptacyclo[16.6.1.13,24.02,7.08,17.010,15.021,25]hexacosa-1(24),2(7),3,5,8,10,12,14,16,19,21(25),22-dodecaene?
26-methyl-18,26-diazaheptacyclo[16.6.1.13,24.02,7.08,17.010,15.021,25]hexacosa-1(24),2(7),3,5,8,10,12,14,16,19,21(25),22-dodecaene has a molecular weight of 344.42 g/mol, XLogP of 6.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 26-methyl-18,26-diazaheptacyclo[16.6.1.13,24.02,7.08,17.010,15.021,25]hexacosa-1(24),2(7),3,5,8,10,12,14,16,19,21(25),22-dodecaene is sourced from PubChem (CID 167073746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).