3,10-diazaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.021,26]octacosa-1(17),2,4,6,8,11,13,15,18,20(28),21,23,25-tridecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.05,13.06,11.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5(13),6,8,10,14,18,21,23,25,27,30,32,34-hexadecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5,7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5,8,10,12,14,18,21,23,25,27,30,32,34-hexadecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.07,15.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21,23,25,27,30,32,34-hexadecaene;ethane

C247H284N12 — CID 159368269

About 3,10-diazaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.021,26]octacosa-1(17),2,4,6,8,11,13,15,18,20(28),21,23,25-tridecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.05,13.06,11.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5(13),6,8,10,14,18,21,23,25,27,30,32,34-hexadecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5,7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5,8,10,12,14,18,21,23,25,27,30,32,34-hexadecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.07,15.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21,23,25,27,30,32,34-hexadecaene;ethane

3,10-diazaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.021,26]octacosa-1(17),2,4,6,8,11,13,15,18,20(28),21,23,25-tridecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.05,13.06,11.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5(13),6,8,10,14,18,21,23,25,27,30,32,34-hexadecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5,7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5,8,10,12,14,18,21,23,25,27,30,32,34-hexadecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.07,15.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21,23,25,27,30,32,34-hexadecaene;ethane (PubChem CID 159368269) has the molecular formula C247H284N12 and a molecular weight of 3421.07 g/mol. Its IUPAC name is 3,10-diazaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.021,26]octacosa-1(17),2,4,6,8,11,13,15,18,20(28),21,23,25-tridecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.05,13.06,11.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5(13),6,8,10,14,18,21,23,25,27,30,32,34-hexadecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5,7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5,8,10,12,14,18,21,23,25,27,30,32,34-hexadecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.07,15.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21,23,25,27,30,32,34-hexadecaene;ethane.

Molecular Properties

• Compound Name: 3,10-diazaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.021,26]octacosa-1(17),2,4,6,8,11,13,15,18,20(28),21,23,25-tridecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.05,13.06,11.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5(13),6,8,10,14,18,21,23,25,27,30,32,34-hexadecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5,7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5,8,10,12,14,18,21,23,25,27,30,32,34-hexadecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.07,15.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21,23,25,27,30,32,34-hexadecaene;ethane
• PubChem CID: 159368269
• Molecular Formula: C247H284N12
• Molecular Weight: 3421.07 g/mol
• Exact Mass: 3418.26
• IUPAC Name: 3,10-diazaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.021,26]octacosa-1(17),2,4,6,8,11,13,15,18,20(28),21,23,25-tridecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.05,13.06,11.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5(13),6,8,10,14,18,21,23,25,27,30,32,34-hexadecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5,7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5,8,10,12,14,18,21,23,25,27,30,32,34-hexadecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.07,15.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21,23,25,27,30,32,34-hexadecaene;ethane
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc2c(c1)Cc1c-2ccc2c1-c1ccc3c(c1C2)c1ccccc1n1c2ccccc2nc31.c1ccc2c(c1)Cc1c-2ccc2c1Cc1c-2ccc2c1c1ccccc1n1c3ccccc3nc21.c1ccc2c(c1)Cc1c-2ccc2c3ccccc3n3c4ccccc4nc3c12.c1ccc2c(c1)Cc1cc3c(cc1-2)-c1ccc2c(c1C3)c1ccccc1n1c3ccccc3nc21.c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1c-3ccc2c1c1ccccc1n1c3ccccc3nc21.c1ccc2c(c1)Cc1ccc3c(c1-2)Cc1c-3ccc2c1c1ccccc1n1c3ccccc3nc21
• InChI: InChI=1S/5C33H20N2.C26H16N2.28C2H6/c1-2-8-22-19(7-1)15-20-16-27-21(17-26(20)22)18-28-23(27)13-14-25-32(28)24-9-3-5-11-30(24)35-31-12-6-4-10-29(31)34-33(25)35;1-2-8-22-19(7-1)15-20-16-21-17-28-23(27(21)18-26(20)22)13-14-25-32(28)24-9-3-5-11-30(24)35-31-12-6-4-10-29(31)34-33(25)35;1-2-8-21-19(7-1)17-26-22(21)14-13-20-18-27-23(31(20)26)15-16-25-32(27)24-9-3-5-11-29(24)35-30-12-6-4-10-28(30)34-33(25)35;1-2-8-21-19(7-1)17-20-13-14-22-23-15-16-25-32(27(23)18-26(22)31(20)21)24-9-3-5-11-29(24)35-30-12-6-4-10-28(30)34-33(25)35;1-2-8-20-19(7-1)17-26-21(20)13-14-22-23-15-16-25-32(28(23)18-27(22)26)24-9-3-5-11-30(24)35-31-12-6-4-10-29(31)34-33(25)35;1-2-8-17-16(7-1)15-21-18(17)13-14-20-19-9-3-5-11-23(19)28-24-12-6-4-10-22(24)27-26(28)25(20)21;28*1-2/h1-14,16-17H,15,18H2;1-14,16,18H,15,17H2;3*1-16H,17-18H2;1-14H,15H2;28*1-2H3
• InChIKey: LJKGEXJZHMBFCI-UHFFFAOYSA-N
• XLogP: 74.78
• TPSA: 103.80 Ų
• H-Bond Acceptors: 12
• Heavy Atoms: 259
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3421.07
LogP ≤ 5	74.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,10-diazaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.021,26]octacosa-1(17),2,4,6,8,11,13,15,18,20(28),21,23,25-tridecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.05,13.06,11.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5(13),6,8,10,14,18,21,23,25,27,30,32,34-hexadecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5,7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5,8,10,12,14,18,21,23,25,27,30,32,34-hexadecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.07,15.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21,23,25,27,30,32,34-hexadecaene;ethane?

The IUPAC name of 3,10-diazaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.021,26]octacosa-1(17),2,4,6,8,11,13,15,18,20(28),21,23,25-tridecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.05,13.06,11.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5(13),6,8,10,14,18,21,23,25,27,30,32,34-hexadecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5,7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5,8,10,12,14,18,21,23,25,27,30,32,34-hexadecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.07,15.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21,23,25,27,30,32,34-hexadecaene;ethane (CID 159368269) is 3,10-diazaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.021,26]octacosa-1(17),2,4,6,8,11,13,15,18,20(28),21,23,25-tridecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.05,13.06,11.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5(13),6,8,10,14,18,21,23,25,27,30,32,34-hexadecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5,7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5,8,10,12,14,18,21,23,25,27,30,32,34-hexadecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.07,15.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21,23,25,27,30,32,34-hexadecaene;ethane.

What is the SMILES notation for 3,10-diazaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.021,26]octacosa-1(17),2,4,6,8,11,13,15,18,20(28),21,23,25-tridecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.05,13.06,11.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5(13),6,8,10,14,18,21,23,25,27,30,32,34-hexadecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5,7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5,8,10,12,14,18,21,23,25,27,30,32,34-hexadecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.07,15.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21,23,25,27,30,32,34-hexadecaene;ethane?

The canonical SMILES for 3,10-diazaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.021,26]octacosa-1(17),2,4,6,8,11,13,15,18,20(28),21,23,25-tridecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.05,13.06,11.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5(13),6,8,10,14,18,21,23,25,27,30,32,34-hexadecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5,7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5,8,10,12,14,18,21,23,25,27,30,32,34-hexadecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.07,15.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21,23,25,27,30,32,34-hexadecaene;ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc2c(c1)Cc1c-2ccc2c1-c1ccc3c(c1C2)c1ccccc1n1c2ccccc2nc31.c1ccc2c(c1)Cc1c-2ccc2c1Cc1c-2ccc2c1c1ccccc1n1c3ccccc3nc21.c1ccc2c(c1)Cc1c-2ccc2c3ccccc3n3c4ccccc4nc3c12.c1ccc2c(c1)Cc1cc3c(cc1-2)-c1ccc2c(c1C3)c1ccccc1n1c3ccccc3nc21.c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1c-3ccc2c1c1ccccc1n1c3ccccc3nc21.c1ccc2c(c1)Cc1ccc3c(c1-2)Cc1c-3ccc2c1c1ccccc1n1c3ccccc3nc21.

What is the InChIKey of 3,10-diazaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.021,26]octacosa-1(17),2,4,6,8,11,13,15,18,20(28),21,23,25-tridecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.05,13.06,11.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5(13),6,8,10,14,18,21,23,25,27,30,32,34-hexadecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5,7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5,8,10,12,14,18,21,23,25,27,30,32,34-hexadecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.07,15.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21,23,25,27,30,32,34-hexadecaene;ethane?

The InChIKey is LJKGEXJZHMBFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/5C33H20N2.C26H16N2.28C2H6/c1-2-8-22-19(7-1)15-20-16-27-21(17-26(20)22)18-28-23(27)13-14-25-32(28)24-9-3-5-11-30(24)35-31-12-6-4-10-29(31)34-33(25)35;1-2-8-22-19(7-1)15-20-16-21-17-28-23(27(21)18-26(20)22)13-14-25-32(28)24-9-3-5-11-30(24)35-31-12-6-4-10-29(31)34-33(25)35;1-2-8-21-19(7-1)17-26-22(21)14-13-20-18-27-23(31(20)26)15-16-25-32(27)24-9-3-5-11-29(24)35-30-12-6-4-10-28(30)34-33(25)35;1-2-8-21-19(7-1)17-20-13-14-22-23-15-16-25-32(27(23)18-26(22)31(20)21)24-9-3-5-11-29(24)35-30-12-6-4-10-28(30)34-33(25)35;1-2-8-20-19(7-1)17-26-21(20)13-14-22-23-15-16-25-32(28(23)18-27(22)26)24-9-3-5-11-30(24)35-31-12-6-4-10-29(31)34-33(25)35;1-2-8-17-16(7-1)15-21-18(17)13-14-20-19-9-3-5-11-23(19)28-24-12-6-4-10-22(24)27-26(28)25(20)21;28*1-2/h1-14,16-17H,15,18H2;1-14,16,18H,15,17H2;3*1-16H,17-18H2;1-14H,15H2;28*1-2H3.

What are the key properties of 3,10-diazaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.021,26]octacosa-1(17),2,4,6,8,11,13,15,18,20(28),21,23,25-tridecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.05,13.06,11.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5(13),6,8,10,14,18,21,23,25,27,30,32,34-hexadecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5,7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5,8,10,12,14,18,21,23,25,27,30,32,34-hexadecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.07,15.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21,23,25,27,30,32,34-hexadecaene;ethane?

3,10-diazaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.021,26]octacosa-1(17),2,4,6,8,11,13,15,18,20(28),21,23,25-tridecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.05,13.06,11.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5(13),6,8,10,14,18,21,23,25,27,30,32,34-hexadecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5,7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5,8,10,12,14,18,21,23,25,27,30,32,34-hexadecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.07,15.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21,23,25,27,30,32,34-hexadecaene;ethane has a molecular weight of 3421.07 g/mol, XLogP of 74.78, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3,10-diazaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.021,26]octacosa-1(17),2,4,6,8,11,13,15,18,20(28),21,23,25-tridecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.05,13.06,11.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5(13),6,8,10,14,18,21,23,25,27,30,32,34-hexadecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5,7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5,8,10,12,14,18,21,23,25,27,30,32,34-hexadecaene;22,29-diazanonacyclo[18.15.0.02,17.04,16.07,15.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21,23,25,27,30,32,34-hexadecaene;ethane is sourced from PubChem (CID 159368269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).