1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,17,19,21,23-undecaene

C22H14N2 — CID 149183864

IUPAC1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,17,19,21,23-undecaene
SMILESc1ccc2c(c1)Cc1c-2n2c3ccccc3nc2c2ccccc12
InChIInChI=1S/C22H14N2/c1-2-8-15-14(7-1)13-18-16-9-3-4-10-17(16)22-23-19-11-5-6-12-20(19)24(22)21(15)18/h1-12H,13H2
InChIKeyXBMMATXZFUDHRP-UHFFFAOYSA-N
MW306.37 g/mol
LogP5.21
Rot. Bonds

About 1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,17,19,21,23-undecaene

1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,17,19,21,23-undecaene (PubChem CID 149183864) has the molecular formula C22H14N2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,17,19,21,23-undecaene.

Molecular Properties

Compound Name1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,17,19,21,23-undecaene
PubChem CID149183864
Molecular FormulaC22H14N2
Molecular Weight306.37 g/mol
Exact Mass306.12
IUPAC Name1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,17,19,21,23-undecaene
SMILESc1ccc2c(c1)Cc1c-2n2c3ccccc3nc2c2ccccc12
InChIInChI=1S/C22H14N2/c1-2-8-15-14(7-1)13-18-16-9-3-4-10-17(16)22-23-19-11-5-6-12-20(19)24(22)21(15)18/h1-12H,13H2
InChIKeyXBMMATXZFUDHRP-UHFFFAOYSA-N
XLogP5.21
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.37
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,17,19,21,23-undecaene with MolForge

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Related Compounds

27,34-diazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23,25,28,30,32,34-hexadecaene
CID 158625674
25,27,34-triazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(26),22,24,28,30,32,34-hexadecaene
CID 157201442
32,34,41-triazadecacyclo[23.17.1.02,23.04,9.010,15.017,22.026,31.032,43.033,42.035,40]tritetraconta-1(43),2(23),4,6,8,10,12,14,17,19,21,24,26,28,30,33,35,37,39,41-icosaene
CID 129281794
2,9-diazanonacyclo[22.11.0.02,10.03,8.011,23.012,20.014,19.026,34.028,33]pentatriaconta-1(24),3,5,7,9,11(23),12(20),14,16,18,21,25,28,30,32,34-hexadecaene
CID 159976359
2,16-diazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3,5,7,9,11,13,15,19(31),20(28),21,23,25,29-tetradecaene
CID 159088060
11-phenanthren-9-yl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
CID 58037741
9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,17,19,21,23-undecaene
CID 129128192
3-phenyl-3,22,29,31-tetrazanonacyclo[18.15.0.02,10.04,9.011,19.012,17.021,29.023,28.030,35]pentatriaconta-1,4,6,8,10,12,14,16,19,21,23,25,27,30(35),31,33-hexadecaene
CID 162263025
21,26,31,35-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.022,35.023,28.029,34]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23(28),24,26,29(34),30,32-hexadecaene
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2-(9H-fluoren-1-yl)-5-phenylbenzimidazolo[1,2-a]benzimidazole
CID 157068240
22,27,29,34-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23(28),24,26,30(35),31,33-hexadecaene
CID 158211210
10-[4-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)naphthalen-1-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
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Frequently Asked Questions

What is the IUPAC name of 1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,17,19,21,23-undecaene?
The IUPAC name of 1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,17,19,21,23-undecaene (CID 149183864) is 1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,17,19,21,23-undecaene.
What is the SMILES notation for 1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,17,19,21,23-undecaene?
The canonical SMILES for 1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,17,19,21,23-undecaene is c1ccc2c(c1)Cc1c-2n2c3ccccc3nc2c2ccccc12.
What is the InChIKey of 1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,17,19,21,23-undecaene?
The InChIKey is XBMMATXZFUDHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2/c1-2-8-15-14(7-1)13-18-16-9-3-4-10-17(16)22-23-19-11-5-6-12-20(19)24(22)21(15)18/h1-12H,13H2.
What are the key properties of 1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,17,19,21,23-undecaene?
1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,17,19,21,23-undecaene has a molecular weight of 306.37 g/mol, XLogP of 5.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,17,19,21,23-undecaene is sourced from PubChem (CID 149183864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).