15,22-diazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.026,34.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25,28,30,32,34-hexadecaene;15,22-diazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene;16,23-diazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.017,22.027,35.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,27(35),28,30,32-hexadecaene;ethane

C129H150N6 — CID 157081768

IUPAC15,22-diazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.026,34.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25,28,30,32,34-hexadecaene;15,22-diazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene;16,23-diazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.017,22.027,35.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,27(35),28,30,32-hexadecaene;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc2c(c1)Cc1c-2ccc2c1c1c3c(ccc1c1nc4ccccc4n21)Cc1ccccc1-3.c1ccc2c(c1)Cc1cc3c(cc1-2)c1c2c(ccc1n1c4ccccc4nc31)-c1ccccc1C2.c1ccc2c(c1)Cc1cc3c(cc1-2)c1c2c(ccc1n1c4ccccc4nc31)Cc1ccccc1-2
InChIInChI=1S/3C33H20N2.15C2H6/c1-4-10-23-19(7-1)15-21-17-28-27(18-25(21)23)32-26-16-20-8-2-3-9-22(20)24(26)13-14-31(32)35-30-12-6-5-11-29(30)34-33(28)35;1-3-9-22-20(8-1)18-26-24(22)15-16-29-31(26)32-25(33-34-27-11-5-6-12-28(27)35(29)33)14-13-21-17-19-7-2-4-10-23(19)30(21)32;1-3-9-23-19(7-1)16-22-17-27-26(18-25(22)23)32-30(35-29-12-6-5-11-28(29)34-33(27)35)14-13-21-15-20-8-2-4-10-24(20)31(21)32;15*1-2/h1-14,17-18H,15-16H2;1-16H,17-18H2;1-14,17-18H,15-16H2;15*1-2H3
InChIKeyADPZRHFDKFMFAZ-UHFFFAOYSA-N
MW1784.66 g/mol
LogP39.20
Rot. Bonds

About 15,22-diazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.026,34.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25,28,30,32,34-hexadecaene;15,22-diazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene;16,23-diazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.017,22.027,35.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,27(35),28,30,32-hexadecaene;ethane

15,22-diazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.026,34.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25,28,30,32,34-hexadecaene;15,22-diazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene;16,23-diazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.017,22.027,35.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,27(35),28,30,32-hexadecaene;ethane (PubChem CID 157081768) has the molecular formula C129H150N6 and a molecular weight of 1784.66 g/mol. Its IUPAC name is 15,22-diazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.026,34.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25,28,30,32,34-hexadecaene;15,22-diazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene;16,23-diazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.017,22.027,35.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,27(35),28,30,32-hexadecaene;ethane.

Molecular Properties

Compound Name15,22-diazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.026,34.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25,28,30,32,34-hexadecaene;15,22-diazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene;16,23-diazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.017,22.027,35.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,27(35),28,30,32-hexadecaene;ethane
PubChem CID157081768
Molecular FormulaC129H150N6
Molecular Weight1784.66 g/mol
Exact Mass1783.19
IUPAC Name15,22-diazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.026,34.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25,28,30,32,34-hexadecaene;15,22-diazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene;16,23-diazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.017,22.027,35.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,27(35),28,30,32-hexadecaene;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc2c(c1)Cc1c-2ccc2c1c1c3c(ccc1c1nc4ccccc4n21)Cc1ccccc1-3.c1ccc2c(c1)Cc1cc3c(cc1-2)c1c2c(ccc1n1c4ccccc4nc31)-c1ccccc1C2.c1ccc2c(c1)Cc1cc3c(cc1-2)c1c2c(ccc1n1c4ccccc4nc31)Cc1ccccc1-2
InChIInChI=1S/3C33H20N2.15C2H6/c1-4-10-23-19(7-1)15-21-17-28-27(18-25(21)23)32-26-16-20-8-2-3-9-22(20)24(26)13-14-31(32)35-30-12-6-5-11-29(30)34-33(28)35;1-3-9-22-20(8-1)18-26-24(22)15-16-29-31(26)32-25(33-34-27-11-5-6-12-28(27)35(29)33)14-13-21-17-19-7-2-4-10-23(19)30(21)32;1-3-9-23-19(7-1)16-22-17-27-26(18-25(22)23)32-30(35-29-12-6-5-11-28(29)34-33(27)35)14-13-21-15-20-8-2-4-10-24(20)31(21)32;15*1-2/h1-14,17-18H,15-16H2;1-16H,17-18H2;1-14,17-18H,15-16H2;15*1-2H3
InChIKeyADPZRHFDKFMFAZ-UHFFFAOYSA-N
XLogP39.20
TPSA51.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms135
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001784.66
LogP ≤ 539.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 15,22-diazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.026,34.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25,28,30,32,34-hexadecaene;15,22-diazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene;16,23-diazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.017,22.027,35.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,27(35),28,30,32-hexadecaene;ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15,22-diazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.026,34.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25,28,30,32,34-hexadecaene;15,22-diazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene;16,23-diazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.017,22.027,35.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,27(35),28,30,32-hexadecaene;ethane?
The IUPAC name of 15,22-diazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.026,34.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25,28,30,32,34-hexadecaene;15,22-diazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene;16,23-diazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.017,22.027,35.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,27(35),28,30,32-hexadecaene;ethane (CID 157081768) is 15,22-diazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.026,34.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25,28,30,32,34-hexadecaene;15,22-diazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene;16,23-diazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.017,22.027,35.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,27(35),28,30,32-hexadecaene;ethane.
What is the SMILES notation for 15,22-diazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.026,34.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25,28,30,32,34-hexadecaene;15,22-diazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene;16,23-diazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.017,22.027,35.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,27(35),28,30,32-hexadecaene;ethane?
The canonical SMILES for 15,22-diazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.026,34.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25,28,30,32,34-hexadecaene;15,22-diazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene;16,23-diazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.017,22.027,35.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,27(35),28,30,32-hexadecaene;ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc2c(c1)Cc1c-2ccc2c1c1c3c(ccc1c1nc4ccccc4n21)Cc1ccccc1-3.c1ccc2c(c1)Cc1cc3c(cc1-2)c1c2c(ccc1n1c4ccccc4nc31)-c1ccccc1C2.c1ccc2c(c1)Cc1cc3c(cc1-2)c1c2c(ccc1n1c4ccccc4nc31)Cc1ccccc1-2.
What is the InChIKey of 15,22-diazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.026,34.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25,28,30,32,34-hexadecaene;15,22-diazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene;16,23-diazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.017,22.027,35.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,27(35),28,30,32-hexadecaene;ethane?
The InChIKey is ADPZRHFDKFMFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C33H20N2.15C2H6/c1-4-10-23-19(7-1)15-21-17-28-27(18-25(21)23)32-26-16-20-8-2-3-9-22(20)24(26)13-14-31(32)35-30-12-6-5-11-29(30)34-33(28)35;1-3-9-22-20(8-1)18-26-24(22)15-16-29-31(26)32-25(33-34-27-11-5-6-12-28(27)35(29)33)14-13-21-17-19-7-2-4-10-23(19)30(21)32;1-3-9-23-19(7-1)16-22-17-27-26(18-25(22)23)32-30(35-29-12-6-5-11-28(29)34-33(27)35)14-13-21-15-20-8-2-4-10-24(20)31(21)32;15*1-2/h1-14,17-18H,15-16H2;1-16H,17-18H2;1-14,17-18H,15-16H2;15*1-2H3.
What are the key properties of 15,22-diazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.026,34.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25,28,30,32,34-hexadecaene;15,22-diazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene;16,23-diazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.017,22.027,35.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,27(35),28,30,32-hexadecaene;ethane?
15,22-diazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.026,34.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25,28,30,32,34-hexadecaene;15,22-diazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene;16,23-diazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.017,22.027,35.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,27(35),28,30,32-hexadecaene;ethane has a molecular weight of 1784.66 g/mol, XLogP of 39.20, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 15,22-diazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.026,34.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25,28,30,32,34-hexadecaene;15,22-diazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene;16,23-diazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.017,22.027,35.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,27(35),28,30,32-hexadecaene;ethane is sourced from PubChem (CID 157081768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).