13,19-diazaundecacyclo[17.15.2.11,14.12,6.07,12.020,25.026,36.029,35.030,34.013,38.018,37]octatriaconta-2,4,6(38),7,9,11,14(37),15,17,20,22,24,26(36),27,29(35)-pentadecaene

C36H24N2 — CID 158278408

IUPAC13,19-diazaundecacyclo[17.15.2.11,14.12,6.07,12.020,25.026,36.029,35.030,34.013,38.018,37]octatriaconta-2,4,6(38),7,9,11,14(37),15,17,20,22,24,26(36),27,29(35)-pentadecaene
SMILESc1cc2c3c(c1)-n1c4ccccc4c4ccc5c(c41)C3(c1cccc3c4ccccc4n-2c13)C1CCCC51
InChIInChI=1S/C36H24N2/c1-3-14-28-21(8-1)24-11-6-13-27-34(24)37(28)30-16-7-17-31-33(30)36(27)26-12-5-10-20(26)23-18-19-25-22-9-2-4-15-29(22)38(31)35(25)32(23)36/h1-4,6-9,11,13-20,26H,5,10,12H2
InChIKeyGNJDERDGRSVREE-UHFFFAOYSA-N
MW484.60 g/mol
LogP8.74
Rot. Bonds

About 13,19-diazaundecacyclo[17.15.2.11,14.12,6.07,12.020,25.026,36.029,35.030,34.013,38.018,37]octatriaconta-2,4,6(38),7,9,11,14(37),15,17,20,22,24,26(36),27,29(35)-pentadecaene

13,19-diazaundecacyclo[17.15.2.11,14.12,6.07,12.020,25.026,36.029,35.030,34.013,38.018,37]octatriaconta-2,4,6(38),7,9,11,14(37),15,17,20,22,24,26(36),27,29(35)-pentadecaene (PubChem CID 158278408) has the molecular formula C36H24N2 and a molecular weight of 484.60 g/mol. Its IUPAC name is 13,19-diazaundecacyclo[17.15.2.11,14.12,6.07,12.020,25.026,36.029,35.030,34.013,38.018,37]octatriaconta-2,4,6(38),7,9,11,14(37),15,17,20,22,24,26(36),27,29(35)-pentadecaene.

Molecular Properties

Compound Name13,19-diazaundecacyclo[17.15.2.11,14.12,6.07,12.020,25.026,36.029,35.030,34.013,38.018,37]octatriaconta-2,4,6(38),7,9,11,14(37),15,17,20,22,24,26(36),27,29(35)-pentadecaene
PubChem CID158278408
Molecular FormulaC36H24N2
Molecular Weight484.60 g/mol
Exact Mass484.19
IUPAC Name13,19-diazaundecacyclo[17.15.2.11,14.12,6.07,12.020,25.026,36.029,35.030,34.013,38.018,37]octatriaconta-2,4,6(38),7,9,11,14(37),15,17,20,22,24,26(36),27,29(35)-pentadecaene
SMILESc1cc2c3c(c1)-n1c4ccccc4c4ccc5c(c41)C3(c1cccc3c4ccccc4n-2c13)C1CCCC51
InChIInChI=1S/C36H24N2/c1-3-14-28-21(8-1)24-11-6-13-27-34(24)37(28)30-16-7-17-31-33(30)36(27)26-12-5-10-20(26)23-18-19-25-22-9-2-4-15-29(22)38(31)35(25)32(23)36/h1-4,6-9,11,13-20,26H,5,10,12H2
InChIKeyGNJDERDGRSVREE-UHFFFAOYSA-N
XLogP8.74
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 58.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 13,19-diazaundecacyclo[17.15.2.11,14.12,6.07,12.020,25.026,36.029,35.030,34.013,38.018,37]octatriaconta-2,4,6(38),7,9,11,14(37),15,17,20,22,24,26(36),27,29(35)-pentadecaene with MolForge

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Related Compounds

12,23-diaza-34-azoniaundecacyclo[17.15.2.11,7.123,30.02,6.012,36.013,18.022,35.024,29.011,38.034,37]octatriaconta-7(38),8,10,13,15,17,19(36),20,22(35),24,26,28,30(37),31,33-pentadecaene
CID 158512297
13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 12555402
spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-4a,9a-dihydrofluorene]
CID 135233943
2-[6-(12,12-dimethyl-11-phenyl-1,2,3,4,4a,12a-hexahydroindeno[2,1-a]carbazol-8-yl)-9-phenylcarbazol-3-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazole
CID 137458804
ethane;spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
CID 158101812
14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene
CID 162093408
spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]
CID 135140118
5-carbazol-9-yl-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 67325809
CID 158512296
CID 158512296
8,26,37-triaza-2-azoniatridecacyclo[28.13.2.115,19.01,17.02,7.08,16.09,14.018,26.020,25.027,44.031,36.037,45.038,43]hexatetraconta-2,4,6,9,11,13,15,17,19(46),20,22,24,27(44),28,30(45),31,33,35,38,40,42-henicosaene
CID 159776856
7'-(4-chlorophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-4a,9a-dihydrofluorene]
CID 143269262
13,13-dimethyl-5-(4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 70892880

Frequently Asked Questions

What is the IUPAC name of 13,19-diazaundecacyclo[17.15.2.11,14.12,6.07,12.020,25.026,36.029,35.030,34.013,38.018,37]octatriaconta-2,4,6(38),7,9,11,14(37),15,17,20,22,24,26(36),27,29(35)-pentadecaene?
The IUPAC name of 13,19-diazaundecacyclo[17.15.2.11,14.12,6.07,12.020,25.026,36.029,35.030,34.013,38.018,37]octatriaconta-2,4,6(38),7,9,11,14(37),15,17,20,22,24,26(36),27,29(35)-pentadecaene (CID 158278408) is 13,19-diazaundecacyclo[17.15.2.11,14.12,6.07,12.020,25.026,36.029,35.030,34.013,38.018,37]octatriaconta-2,4,6(38),7,9,11,14(37),15,17,20,22,24,26(36),27,29(35)-pentadecaene.
What is the SMILES notation for 13,19-diazaundecacyclo[17.15.2.11,14.12,6.07,12.020,25.026,36.029,35.030,34.013,38.018,37]octatriaconta-2,4,6(38),7,9,11,14(37),15,17,20,22,24,26(36),27,29(35)-pentadecaene?
The canonical SMILES for 13,19-diazaundecacyclo[17.15.2.11,14.12,6.07,12.020,25.026,36.029,35.030,34.013,38.018,37]octatriaconta-2,4,6(38),7,9,11,14(37),15,17,20,22,24,26(36),27,29(35)-pentadecaene is c1cc2c3c(c1)-n1c4ccccc4c4ccc5c(c41)C3(c1cccc3c4ccccc4n-2c13)C1CCCC51.
What is the InChIKey of 13,19-diazaundecacyclo[17.15.2.11,14.12,6.07,12.020,25.026,36.029,35.030,34.013,38.018,37]octatriaconta-2,4,6(38),7,9,11,14(37),15,17,20,22,24,26(36),27,29(35)-pentadecaene?
The InChIKey is GNJDERDGRSVREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2/c1-3-14-28-21(8-1)24-11-6-13-27-34(24)37(28)30-16-7-17-31-33(30)36(27)26-12-5-10-20(26)23-18-19-25-22-9-2-4-15-29(22)38(31)35(25)32(23)36/h1-4,6-9,11,13-20,26H,5,10,12H2.
What are the key properties of 13,19-diazaundecacyclo[17.15.2.11,14.12,6.07,12.020,25.026,36.029,35.030,34.013,38.018,37]octatriaconta-2,4,6(38),7,9,11,14(37),15,17,20,22,24,26(36),27,29(35)-pentadecaene?
13,19-diazaundecacyclo[17.15.2.11,14.12,6.07,12.020,25.026,36.029,35.030,34.013,38.018,37]octatriaconta-2,4,6(38),7,9,11,14(37),15,17,20,22,24,26(36),27,29(35)-pentadecaene has a molecular weight of 484.60 g/mol, XLogP of 8.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13,19-diazaundecacyclo[17.15.2.11,14.12,6.07,12.020,25.026,36.029,35.030,34.013,38.018,37]octatriaconta-2,4,6(38),7,9,11,14(37),15,17,20,22,24,26(36),27,29(35)-pentadecaene is sourced from PubChem (CID 158278408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).