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

C33H22N2 — CID 167567970

IUPAC1,18-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
SMILESc1ccc2c(c1)Cc1cc3c(cc1-2)N1c2c(cncc2Cc2ccc4c(c21)-c1ccccc1C4)C3
InChIInChI=1S/C33H22N2/c1-3-7-27-19(5-1)12-23-14-24-15-26-18-34-17-25-13-22-10-9-21-11-20-6-2-4-8-28(20)31(21)33(22)35(32(25)26)30(24)16-29(23)27/h1-10,14,16-18H,11-13,15H2
InChIKeyPYKIIKFCYICSMD-UHFFFAOYSA-N
MW446.55 g/mol
LogP7.50
Rot. Bonds

About 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

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 (PubChem CID 167567970) has the molecular formula C33H22N2 and a molecular weight of 446.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,18-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
PubChem CID167567970
Molecular FormulaC33H22N2
Molecular Weight446.55 g/mol
Exact Mass446.18
IUPAC Name1,18-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
SMILESc1ccc2c(c1)Cc1cc3c(cc1-2)N1c2c(cncc2Cc2ccc4c(c21)-c1ccccc1C4)C3
InChIInChI=1S/C33H22N2/c1-3-7-27-19(5-1)12-23-14-24-15-26-18-34-17-25-13-22-10-9-21-11-20-6-2-4-8-28(20)31(21)33(22)35(32(25)26)30(24)16-29(23)27/h1-10,14,16-18H,11-13,15H2
InChIKeyPYKIIKFCYICSMD-UHFFFAOYSA-N
XLogP7.50
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.55
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

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
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
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
1,24-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22(27),23,25-dodecaene
CID 167537203
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
1,18-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
1,4-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
17,20-diazanonacyclo[18.14.1.02,10.03,8.012,35.014,19.021,33.023,31.025,30]pentatriaconta-1,3,5,7,10,12(35),14(19),15,17,21,23(31),25,27,29,32-pentadecaene
CID 167570988
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
1,17-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
2-methyl-2-azaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),3(15),4,6,8,10,13,18,21,23,25,27-dodecaene
CID 162243308

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2c(c1)Cc1cc3c(cc1-2)N1c2c(cncc2Cc2ccc4c(c21)-c1ccccc1C4)C3.
What is the InChIKey of 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?
The InChIKey is PYKIIKFCYICSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N2/c1-3-7-27-19(5-1)12-23-14-24-15-26-18-34-17-25-13-22-10-9-21-11-20-6-2-4-8-28(20)31(21)33(22)35(32(25)26)30(24)16-29(23)27/h1-10,14,16-18H,11-13,15H2.
What are the key properties of 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?
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 has a molecular weight of 446.55 g/mol, XLogP of 7.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167567970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).