15-azaoctacyclo[18.11.0.02,14.05,13.06,11.015,19.021,29.023,28]hentriaconta-1(20),2(14),3,5(13),6,8,10,16,18,21(29),23,25,27,30-tetradecaene

C30H19N — CID 157307894

IUPAC15-azaoctacyclo[18.11.0.02,14.05,13.06,11.015,19.021,29.023,28]hentriaconta-1(20),2(14),3,5(13),6,8,10,16,18,21(29),23,25,27,30-tetradecaene
SMILESc1ccc2c(c1)Cc1c-2ccc2c3ccc4c(c3n3cccc3c12)Cc1ccccc1-4
InChIInChI=1S/C30H19N/c1-3-8-20-18(6-1)16-26-22(20)11-13-24-25-14-12-23-21-9-4-2-7-19(21)17-27(23)30(25)31-15-5-10-28(31)29(24)26/h1-15H,16-17H2
InChIKeyMCFVMULYSJCFTA-UHFFFAOYSA-N
MW393.49 g/mol
LogP7.39
Rot. Bonds

About 15-azaoctacyclo[18.11.0.02,14.05,13.06,11.015,19.021,29.023,28]hentriaconta-1(20),2(14),3,5(13),6,8,10,16,18,21(29),23,25,27,30-tetradecaene

15-azaoctacyclo[18.11.0.02,14.05,13.06,11.015,19.021,29.023,28]hentriaconta-1(20),2(14),3,5(13),6,8,10,16,18,21(29),23,25,27,30-tetradecaene (PubChem CID 157307894) has the molecular formula C30H19N and a molecular weight of 393.49 g/mol. Its IUPAC name is 15-azaoctacyclo[18.11.0.02,14.05,13.06,11.015,19.021,29.023,28]hentriaconta-1(20),2(14),3,5(13),6,8,10,16,18,21(29),23,25,27,30-tetradecaene.

Molecular Properties

Compound Name15-azaoctacyclo[18.11.0.02,14.05,13.06,11.015,19.021,29.023,28]hentriaconta-1(20),2(14),3,5(13),6,8,10,16,18,21(29),23,25,27,30-tetradecaene
PubChem CID157307894
Molecular FormulaC30H19N
Molecular Weight393.49 g/mol
Exact Mass393.15
IUPAC Name15-azaoctacyclo[18.11.0.02,14.05,13.06,11.015,19.021,29.023,28]hentriaconta-1(20),2(14),3,5(13),6,8,10,16,18,21(29),23,25,27,30-tetradecaene
SMILESc1ccc2c(c1)Cc1c-2ccc2c3ccc4c(c3n3cccc3c12)Cc1ccccc1-4
InChIInChI=1S/C30H19N/c1-3-8-20-18(6-1)16-26-22(20)11-13-24-25-14-12-23-21-9-4-2-7-19(21)17-27(23)30(25)31-15-5-10-28(31)29(24)26/h1-15H,16-17H2
InChIKeyMCFVMULYSJCFTA-UHFFFAOYSA-N
XLogP7.39
TPSA4.41 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 15-azaoctacyclo[18.11.0.02,14.05,13.06,11.015,19.021,29.023,28]hentriaconta-1(20),2(14),3,5(13),6,8,10,16,18,21(29),23,25,27,30-tetradecaene with MolForge

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Related Compounds

19-azaoctacyclo[18.11.0.02,14.04,12.05,10.015,19.021,29.023,28]hentriaconta-1(20),2(14),3,5,7,9,12,15,17,21(29),23,25,27,30-tetradecaene
CID 158281476
2-azahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7,9,11,14,16,18,20,23-undecaene;24-azahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene;24-azahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene;19-azaoctacyclo[18.11.0.02,14.04,12.05,10.015,19.021,29.023,28]hentriaconta-1(20),2(14),3,5,7,9,12,15,17,21(29),23,25,27,30-tetradecaene;19-azaoctacyclo[18.11.0.02,14.05,13.06,11.015,19.021,29.022,27]hentriaconta-1(20),2(14),3,5(13),6,8,10,15,17,21(29),22,24,26,30-tetradecaene;ethane;methane
CID 158281471
15-azaoctacyclo[18.11.0.02,14.04,12.05,10.015,19.022,30.023,28]hentriaconta-1(20),2(14),3,5,7,9,12,16,18,21,23,25,27,30-tetradecaene;15-azaoctacyclo[18.11.0.02,14.04,12.06,11.015,19.021,29.022,27]hentriaconta-1(20),2(14),3,6,8,10,12,16,18,21(29),22,24,26,30-tetradecaene;19-azaoctacyclo[18.11.0.02,14.03,11.05,10.015,19.021,29.022,27]hentriaconta-1(20),2(14),3(11),5,7,9,12,15,17,21(29),22,24,26,30-tetradecaene;19-azaoctacyclo[18.11.0.02,14.03,11.05,10.015,19.022,30.024,29]hentriaconta-1(20),2(14),3(11),5,7,9,12,15,17,21,24,26,28,30-tetradecaene;ethane;methane
CID 157310207
24-azahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene
CID 158281474
9-propyl-9-azaheptacyclo[15.11.0.02,10.03,8.011,16.018,26.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27-tridecaene
CID 160884355
7-azaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),3,5,8,10,12,15,19,21(29),22,24,26,30-tetradecaene
CID 157186918
11-[(Z)-but-2-en-2-yl]-12H-indeno[2,1-a]carbazole
CID 142394580
9,12-diazaoctacyclo[15.14.0.02,14.03,8.09,13.018,30.020,28.022,27]hentriaconta-1(17),2(14),3,5,7,10,12,15,18(30),19,22,24,26,28-tetradecaene
CID 159907403
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
ethane;9-methyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-methylcarbazole;11-methyl-12H-indeno[2,1-a]carbazole;5-methyl-7H-indeno[2,1-b]carbazole;5-methyl-11H-indeno[1,2-b]carbazole;5-methyl-12H-indeno[1,2-c]carbazole
CID 158023660
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
4,7-diazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.019,27.020,25]hentriaconta-1(17),2(14),3,5,8,10,12,15,18(30),19(27),20,22,24,28-tetradecaene
CID 161060801

Frequently Asked Questions

What is the IUPAC name of 15-azaoctacyclo[18.11.0.02,14.05,13.06,11.015,19.021,29.023,28]hentriaconta-1(20),2(14),3,5(13),6,8,10,16,18,21(29),23,25,27,30-tetradecaene?
The IUPAC name of 15-azaoctacyclo[18.11.0.02,14.05,13.06,11.015,19.021,29.023,28]hentriaconta-1(20),2(14),3,5(13),6,8,10,16,18,21(29),23,25,27,30-tetradecaene (CID 157307894) is 15-azaoctacyclo[18.11.0.02,14.05,13.06,11.015,19.021,29.023,28]hentriaconta-1(20),2(14),3,5(13),6,8,10,16,18,21(29),23,25,27,30-tetradecaene.
What is the SMILES notation for 15-azaoctacyclo[18.11.0.02,14.05,13.06,11.015,19.021,29.023,28]hentriaconta-1(20),2(14),3,5(13),6,8,10,16,18,21(29),23,25,27,30-tetradecaene?
The canonical SMILES for 15-azaoctacyclo[18.11.0.02,14.05,13.06,11.015,19.021,29.023,28]hentriaconta-1(20),2(14),3,5(13),6,8,10,16,18,21(29),23,25,27,30-tetradecaene is c1ccc2c(c1)Cc1c-2ccc2c3ccc4c(c3n3cccc3c12)Cc1ccccc1-4.
What is the InChIKey of 15-azaoctacyclo[18.11.0.02,14.05,13.06,11.015,19.021,29.023,28]hentriaconta-1(20),2(14),3,5(13),6,8,10,16,18,21(29),23,25,27,30-tetradecaene?
The InChIKey is MCFVMULYSJCFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19N/c1-3-8-20-18(6-1)16-26-22(20)11-13-24-25-14-12-23-21-9-4-2-7-19(21)17-27(23)30(25)31-15-5-10-28(31)29(24)26/h1-15H,16-17H2.
What are the key properties of 15-azaoctacyclo[18.11.0.02,14.05,13.06,11.015,19.021,29.023,28]hentriaconta-1(20),2(14),3,5(13),6,8,10,16,18,21(29),23,25,27,30-tetradecaene?
15-azaoctacyclo[18.11.0.02,14.05,13.06,11.015,19.021,29.023,28]hentriaconta-1(20),2(14),3,5(13),6,8,10,16,18,21(29),23,25,27,30-tetradecaene has a molecular weight of 393.49 g/mol, XLogP of 7.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15-azaoctacyclo[18.11.0.02,14.05,13.06,11.015,19.021,29.023,28]hentriaconta-1(20),2(14),3,5(13),6,8,10,16,18,21(29),23,25,27,30-tetradecaene is sourced from PubChem (CID 157307894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).