13,28-dichloro-7,8,9,10,22,23,24,25-octadeuterio-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene

C30H14Cl2N2 — CID 164841582

About 13,28-dichloro-7,8,9,10,22,23,24,25-octadeuterio-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene

13,28-dichloro-7,8,9,10,22,23,24,25-octadeuterio-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene (PubChem CID 164841582) has the molecular formula C30H14Cl2N2 and a molecular weight of 481.41 g/mol. Its IUPAC name is 13,28-dichloro-7,8,9,10,22,23,24,25-octadeuterio-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene.

Molecular Properties

• Compound Name: 13,28-dichloro-7,8,9,10,22,23,24,25-octadeuterio-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene
• PubChem CID: 164841582
• Molecular Formula: C30H14Cl2N2
• Molecular Weight: 481.41 g/mol
• Exact Mass: 480.10
• IUPAC Name: 13,28-dichloro-7,8,9,10,22,23,24,25-octadeuterio-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene
• SMILES: [2H]c1c([2H])c([2H])c2c(c1[2H])c1c(Cl)ccc3c4cc5c(cc4n2c31)c1ccc(Cl)c2c3c([2H])c([2H])c([2H])c([2H])c3n5c12
• InChI: InChI=1S/C30H14Cl2N2/c31-21-11-9-15-19-14-26-20(13-25(19)33-23-7-3-1-5-17(23)27(21)29(15)33)16-10-12-22(32)28-18-6-2-4-8-24(18)34(26)30(16)28/h1-14H/i1D,2D,3D,4D,5D,6D,7D,8D
• InChIKey: XTGCNBYNWOKEHH-PGRXLJNUSA-N
• XLogP: 9.29
• TPSA: 8.82 Ų
• H-Bond Acceptors: 2
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.41
LogP ≤ 5	9.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 13,28-dichloro-7,8,9,10,22,23,24,25-octadeuterio-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene?

The IUPAC name of 13,28-dichloro-7,8,9,10,22,23,24,25-octadeuterio-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene (CID 164841582) is 13,28-dichloro-7,8,9,10,22,23,24,25-octadeuterio-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene.

What is the SMILES notation for 13,28-dichloro-7,8,9,10,22,23,24,25-octadeuterio-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene?

The canonical SMILES for 13,28-dichloro-7,8,9,10,22,23,24,25-octadeuterio-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene is [2H]c1c([2H])c([2H])c2c(c1[2H])c1c(Cl)ccc3c4cc5c(cc4n2c31)c1ccc(Cl)c2c3c([2H])c([2H])c([2H])c([2H])c3n5c12.

What is the InChIKey of 13,28-dichloro-7,8,9,10,22,23,24,25-octadeuterio-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene?

The InChIKey is XTGCNBYNWOKEHH-PGRXLJNUSA-N. The full InChI is InChI=1S/C30H14Cl2N2/c31-21-11-9-15-19-14-26-20(13-25(19)33-23-7-3-1-5-17(23)27(21)29(15)33)16-10-12-22(32)28-18-6-2-4-8-24(18)34(26)30(16)28/h1-14H/i1D,2D,3D,4D,5D,6D,7D,8D.

What are the key properties of 13,28-dichloro-7,8,9,10,22,23,24,25-octadeuterio-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene?

13,28-dichloro-7,8,9,10,22,23,24,25-octadeuterio-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene has a molecular weight of 481.41 g/mol, XLogP of 9.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 13,28-dichloro-7,8,9,10,22,23,24,25-octadeuterio-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene is sourced from PubChem (CID 164841582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).