1,18-diazaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16(28),17,19,22,24,26-dodecaene

C26H18N2 — CID 167537206

IUPAC1,18-diazaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16(28),17,19,22,24,26-dodecaene
SMILESc1ccc2c(c1)Cc1ccc3c(c1-2)N1c2ccccc2Cc2cncc(c21)C3
InChIInChI=1S/C26H18N2/c1-3-7-22-16(5-1)11-18-9-10-19-13-21-15-27-14-20-12-17-6-2-4-8-23(17)28(25(20)21)26(19)24(18)22/h1-10,14-15H,11-13H2
InChIKeyGCOFKBUDVVOBCL-UHFFFAOYSA-N
MW358.44 g/mol
LogP5.93
Rot. Bonds

About 1,18-diazaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16(28),17,19,22,24,26-dodecaene

1,18-diazaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16(28),17,19,22,24,26-dodecaene (PubChem CID 167537206) has the molecular formula C26H18N2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1,18-diazaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16(28),17,19,22,24,26-dodecaene.

Molecular Properties

Compound Name1,18-diazaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16(28),17,19,22,24,26-dodecaene
PubChem CID167537206
Molecular FormulaC26H18N2
Molecular Weight358.44 g/mol
Exact Mass358.15
IUPAC Name1,18-diazaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16(28),17,19,22,24,26-dodecaene
SMILESc1ccc2c(c1)Cc1ccc3c(c1-2)N1c2ccccc2Cc2cncc(c21)C3
InChIInChI=1S/C26H18N2/c1-3-7-22-16(5-1)11-18-9-10-19-13-21-15-27-14-20-12-17-6-2-4-8-23(17)28(25(20)21)26(19)24(18)22/h1-10,14-15H,11-13H2
InChIKeyGCOFKBUDVVOBCL-UHFFFAOYSA-N
XLogP5.93
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,18-diazaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16(28),17,19,22,24,26-dodecaene with MolForge

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Related Compounds

1,18-diazanonacyclo[18.14.1.02,14.03,11.04,9.016,35.022,34.024,32.026,31]pentatriaconta-2(14),3(11),4,6,8,12,16,18,20(35),22(34),23,26,28,30,32-pentadecaene
CID 167567970
1,17-diazaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16,18,20(28),22,24,26-dodecaene;1,18-diazaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16(28),17,19,22,24,26-dodecaene;1,19-diazaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16(28),17,19,22,24,26-dodecaene;1,24-diazaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16(28),17,19,22(27),23,25-dodecaene;1,25-diazaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16(28),17,19,22(27),23,25-dodecaene;1,26-diazaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16,18,20(28),22(27),23,25-dodecaene
CID 167600458
1,24-diazaheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22(27),23,25-dodecaene
CID 167533926
1,4-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.025,33.027,32]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23,25(33),27,29,31-pentadecaene
CID 167575215
1,18-diazanonacyclo[18.14.1.02,14.03,11.05,10.016,35.022,34.023,31.025,30]pentatriaconta-2(14),3(11),5,7,9,12,16,18,20(35),22(34),23(31),25,27,29,32-pentadecaene
CID 167544597
1,31-diazanonacyclo[21.11.1.02,21.05,20.07,19.08,16.09,14.027,35.029,34]pentatriaconta-2(21),3,5(20),7(19),8(16),9,11,13,17,23,25,27(35),29(34),30,32-pentadecaene
CID 167644188
1,24-diazanonacyclo[21.11.1.02,21.04,19.06,18.07,15.09,14.027,35.029,34]pentatriaconta-2,4(19),6(18),7(15),9,11,13,16,20,23,25,27(35),29,31,33-pentadecaene;1,25-diazanonacyclo[21.11.1.02,21.04,19.06,18.07,15.08,13.027,35.029,34]pentatriaconta-2,4(19),6(18),7(15),8,10,12,16,20,23(35),24,26,29,31,33-pentadecaene;1,25-diazanonacyclo[21.11.1.02,21.04,19.06,18.07,15.09,14.027,35.029,34]pentatriaconta-2,4(19),6(18),7(15),9,11,13,16,20,23(35),24,26,29,31,33-pentadecaene;1,26-diazanonacyclo[21.11.1.02,21.04,19.06,18.07,15.08,13.027,35.029,34]pentatriaconta-2,4(19),6(18),7(15),8,10,12,16,20,23(35),24,26,29,31,33-pentadecaene;1,26-diazanonacyclo[21.11.1.02,21.04,19.06,18.07,15.09,14.027,35.029,34]pentatriaconta-2,4(19),6(18),7(15),9,11,13,16,20,23(35),24,26,29,31,33-pentadecaene
CID 167574631
1,24-diazanonacyclo[21.11.1.02,21.04,19.06,18.07,15.08,13.027,35.029,34]pentatriaconta-2,4(19),6(18),7(15),8,10,12,16,20,23,25,27(35),29,31,33-pentadecaene;1,24-diazanonacyclo[21.11.1.02,21.04,19.06,18.08,16.010,15.027,35.029,34]pentatriaconta-2,4(19),6(18),7,10,12,14,16,20,23,25,27(35),29,31,33-pentadecaene;1,25-diazanonacyclo[21.11.1.02,21.04,19.06,18.08,16.09,14.027,35.029,34]pentatriaconta-2,4(19),6(18),7,9,11,13,16,20,23(35),24,26,29,31,33-pentadecaene;1,25-diazanonacyclo[21.11.1.02,21.04,19.06,18.08,16.010,15.027,35.029,34]pentatriaconta-2,4(19),6(18),7,10,12,14,16,20,23(35),24,26,29,31,33-pentadecaene;1,26-diazanonacyclo[21.11.1.02,21.04,19.06,18.08,16.09,14.027,35.029,34]pentatriaconta-2,4(19),6(18),7,9,11,13,16,20,23(35),24,26,29,31,33-pentadecaene;1,26-diazanonacyclo[21.11.1.02,21.04,19.06,18.08,16.010,15.027,35.029,34]pentatriaconta-2,4(19),6(18),7,10,12,14,16,20,23(35),24,26,29,31,33-pentadecaene
CID 167593307
1,31-diazanonacyclo[21.11.1.02,21.05,20.07,19.010,18.012,17.027,35.029,34]pentatriaconta-2(21),3,5(20),7(19),8,10(18),12,14,16,23,25,27(35),29(34),30,32-pentadecaene
CID 167550287
1,18,23-triazaheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5,7,9,12,16,18,20(28),22(27),23,25-dodecaene
CID 167585041
1,18,24-triazaheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2(14),3,5,7,9,12,16,18,20(28),22(27),23,25-dodecaene
CID 167534329
1,17-diazanonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5,7,9,12,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,18-diazanonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5,7,9,12,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaene;1,19-diazanonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5,7,9,12,16(35),17,19,22(34),23(31),24,26,28,32-pentadecaene
CID 167533761

Frequently Asked Questions

What is the IUPAC name of 1,18-diazaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16(28),17,19,22,24,26-dodecaene?
The IUPAC name of 1,18-diazaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16(28),17,19,22,24,26-dodecaene (CID 167537206) is 1,18-diazaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16(28),17,19,22,24,26-dodecaene.
What is the SMILES notation for 1,18-diazaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16(28),17,19,22,24,26-dodecaene?
The canonical SMILES for 1,18-diazaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16(28),17,19,22,24,26-dodecaene is c1ccc2c(c1)Cc1ccc3c(c1-2)N1c2ccccc2Cc2cncc(c21)C3.
What is the InChIKey of 1,18-diazaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16(28),17,19,22,24,26-dodecaene?
The InChIKey is GCOFKBUDVVOBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2/c1-3-7-22-16(5-1)11-18-9-10-19-13-21-15-27-14-20-12-17-6-2-4-8-23(17)28(25(20)21)26(19)24(18)22/h1-10,14-15H,11-13H2.
What are the key properties of 1,18-diazaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16(28),17,19,22,24,26-dodecaene?
1,18-diazaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16(28),17,19,22,24,26-dodecaene has a molecular weight of 358.44 g/mol, XLogP of 5.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,18-diazaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16(28),17,19,22,24,26-dodecaene is sourced from PubChem (CID 167537206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).