17,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.023,31.024,29]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24,26,28,31-pentadecaene

C33H22N2 — CID 167548396

IUPAC17,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.023,31.024,29]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24,26,28,31-pentadecaene
SMILESc1ccc2c(c1)Cc1cc3c(cc1-2)N1c2cnccc2Cc2cc4c(c(c21)C3)Cc1ccccc1-4
InChIInChI=1S/C33H22N2/c1-3-7-25-19(5-1)11-22-13-23-15-30-29-14-20-6-2-4-8-26(20)28(29)16-24-12-21-9-10-34-18-32(21)35(33(24)30)31(23)17-27(22)25/h1-10,13,16-18H,11-12,14-15H2
InChIKeyKNXIHJQNHKBXDN-UHFFFAOYSA-N
MW446.55 g/mol
LogP7.50
Rot. Bonds

About 17,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.023,31.024,29]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24,26,28,31-pentadecaene

17,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.023,31.024,29]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24,26,28,31-pentadecaene (PubChem CID 167548396) has the molecular formula C33H22N2 and a molecular weight of 446.55 g/mol. Its IUPAC name is 17,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.023,31.024,29]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24,26,28,31-pentadecaene.

Molecular Properties

Compound Name17,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.023,31.024,29]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24,26,28,31-pentadecaene
PubChem CID167548396
Molecular FormulaC33H22N2
Molecular Weight446.55 g/mol
Exact Mass446.18
IUPAC Name17,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.023,31.024,29]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24,26,28,31-pentadecaene
SMILESc1ccc2c(c1)Cc1cc3c(cc1-2)N1c2cnccc2Cc2cc4c(c(c21)C3)Cc1ccccc1-4
InChIInChI=1S/C33H22N2/c1-3-7-25-19(5-1)11-22-13-23-15-30-29-14-20-6-2-4-8-26(20)28(29)16-24-12-21-9-10-34-18-32(21)35(33(24)30)31(23)17-27(22)25/h1-10,13,16-18H,11-12,14-15H2
InChIKeyKNXIHJQNHKBXDN-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 17,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.023,31.024,29]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24,26,28,31-pentadecaene with MolForge

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Related Compounds

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
27,31-diazanonacyclo[17.15.1.02,17.04,16.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7,9,11,14,18,21,23,25,28(33),29,31-pentadecaene
CID 167612760
17,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.026,31]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),26,28,30-pentadecaene
CID 167536988
6,9,11-triazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(27),3(8),4,6,10(15),11,13,17(28),18(26),20,22,24-dodecaene
CID 167568754
7,9,12-triazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(27),3(8),4,6,10(15),11,13,17(28),18(26),20,22,24-dodecaene
CID 167534170
1,25-diazaheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5,7,9,12,16(28),17,19,22(27),23,25-dodecaene
CID 167585226
27,31-diazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21,23,25,28(33),29,31-pentadecaene
CID 167637884
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
22,27-diazanonacyclo[17.15.1.02,17.04,16.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,8,10,12,14,18,21(26),22,24,28,30,32-pentadecaene
CID 167580777
27,32-diazanonacyclo[17.15.1.02,17.04,16.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,8,10,12,14,18,21,23,25,28(33),29,31-pentadecaene
CID 167554141
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
4,9,13-triazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(27),3(8),4,6,10(15),11,13,17(28),18(26),20,22,24-dodecaene;5,9,13-triazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(27),3(8),4,6,10(15),11,13,17(28),18(26),20,22,24-dodecaene;5,9,14-triazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(27),3(8),4,6,10(15),11,13,17(28),18(26),20,22,24-dodecaene;6,9,13-triazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(27),3(8),4,6,10(15),11,13,17(28),18(26),20,22,24-dodecaene;6,9,14-triazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(27),3(8),4,6,10(15),11,13,17(28),18(26),20,22,24-dodecaene;7,9,14-triazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(27),3(8),4,6,10(15),11,13,17(28),18(26),20,22,24-dodecaene
CID 167566000

Frequently Asked Questions

What is the IUPAC name of 17,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.023,31.024,29]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24,26,28,31-pentadecaene?
The IUPAC name of 17,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.023,31.024,29]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24,26,28,31-pentadecaene (CID 167548396) is 17,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.023,31.024,29]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24,26,28,31-pentadecaene.
What is the SMILES notation for 17,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.023,31.024,29]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24,26,28,31-pentadecaene?
The canonical SMILES for 17,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.023,31.024,29]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24,26,28,31-pentadecaene is c1ccc2c(c1)Cc1cc3c(cc1-2)N1c2cnccc2Cc2cc4c(c(c21)C3)Cc1ccccc1-4.
What is the InChIKey of 17,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.023,31.024,29]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24,26,28,31-pentadecaene?
The InChIKey is KNXIHJQNHKBXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N2/c1-3-7-25-19(5-1)11-22-13-23-15-30-29-14-20-6-2-4-8-26(20)28(29)16-24-12-21-9-10-34-18-32(21)35(33(24)30)31(23)17-27(22)25/h1-10,13,16-18H,11-12,14-15H2.
What are the key properties of 17,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.023,31.024,29]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24,26,28,31-pentadecaene?
17,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.023,31.024,29]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24,26,28,31-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 17,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.023,31.024,29]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24,26,28,31-pentadecaene is sourced from PubChem (CID 167548396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).