7,22-bis(1-bicyclo[2.2.1]heptanyl)-13-N,28-N-bis(2,3,4,5,6-pentadeuteriophenyl)-13-N,28-N-bis[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-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(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-13,28-diamine

C80H62N4 — CID 167343377

About 7,22-bis(1-bicyclo[2.2.1]heptanyl)-13-N,28-N-bis(2,3,4,5,6-pentadeuteriophenyl)-13-N,28-N-bis[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-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(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-13,28-diamine

7,22-bis(1-bicyclo[2.2.1]heptanyl)-13-N,28-N-bis(2,3,4,5,6-pentadeuteriophenyl)-13-N,28-N-bis[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-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(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-13,28-diamine (PubChem CID 167343377) has the molecular formula C80H62N4 and a molecular weight of 1107.57 g/mol. Its IUPAC name is 7,22-bis(1-bicyclo[2.2.1]heptanyl)-13-N,28-N-bis(2,3,4,5,6-pentadeuteriophenyl)-13-N,28-N-bis[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-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(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-13,28-diamine.

Molecular Properties

• Compound Name: 7,22-bis(1-bicyclo[2.2.1]heptanyl)-13-N,28-N-bis(2,3,4,5,6-pentadeuteriophenyl)-13-N,28-N-bis[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-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(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-13,28-diamine
• PubChem CID: 167343377
• Molecular Formula: C80H62N4
• Molecular Weight: 1107.57 g/mol
• Exact Mass: 1106.67
• IUPAC Name: 7,22-bis(1-bicyclo[2.2.1]heptanyl)-13-N,28-N-bis(2,3,4,5,6-pentadeuteriophenyl)-13-N,28-N-bis[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-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(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-13,28-diamine
• SMILES: [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c([2H])c2N(c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2ccc3c4cc5c(cc4n4c6c(C78CCC(CC7)C8)cccc6c2c34)c2ccc(N(c3c([2H])c([2H])c([2H])c([2H])c3[2H])c3c([2H])c([2H])c([2H])c([2H])c3-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c3c4cccc(C67CCC(CC6)C7)c4n5c23)c([2H])c1[2H]
• InChI: InChI=1S/C80H62N4/c1-5-19-53(20-6-1)57-27-13-15-33-67(57)81(55-23-9-3-10-24-55)69-37-35-59-63-47-72-64(48-71(63)83-75-61(73(69)77(59)83)29-17-31-65(75)79-43-39-51(49-79)40-44-79)60-36-38-70(74-62-30-18-32-66(76(62)84(72)78(60)74)80-45-41-52(50-80)42-46-80)82(56-25-11-4-12-26-56)68-34-16-14-28-58(68)54-21-7-2-8-22-54/h1-38,47-48,51-52H,39-46,49-50H2/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,33D,34D
• InChIKey: GVNGMBGKNRYPQY-MJNNCZHLSA-N
• XLogP: 21.92
• TPSA: 15.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1107.57
LogP ≤ 5	21.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7,22-bis(1-bicyclo[2.2.1]heptanyl)-13-N,28-N-bis(2,3,4,5,6-pentadeuteriophenyl)-13-N,28-N-bis[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-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(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-13,28-diamine?

The IUPAC name of 7,22-bis(1-bicyclo[2.2.1]heptanyl)-13-N,28-N-bis(2,3,4,5,6-pentadeuteriophenyl)-13-N,28-N-bis[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-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(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-13,28-diamine (CID 167343377) is 7,22-bis(1-bicyclo[2.2.1]heptanyl)-13-N,28-N-bis(2,3,4,5,6-pentadeuteriophenyl)-13-N,28-N-bis[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-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(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-13,28-diamine.

What is the SMILES notation for 7,22-bis(1-bicyclo[2.2.1]heptanyl)-13-N,28-N-bis(2,3,4,5,6-pentadeuteriophenyl)-13-N,28-N-bis[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-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(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-13,28-diamine?

The canonical SMILES for 7,22-bis(1-bicyclo[2.2.1]heptanyl)-13-N,28-N-bis(2,3,4,5,6-pentadeuteriophenyl)-13-N,28-N-bis[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-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(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-13,28-diamine is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c([2H])c2N(c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2ccc3c4cc5c(cc4n4c6c(C78CCC(CC7)C8)cccc6c2c34)c2ccc(N(c3c([2H])c([2H])c([2H])c([2H])c3[2H])c3c([2H])c([2H])c([2H])c([2H])c3-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c3c4cccc(C67CCC(CC6)C7)c4n5c23)c([2H])c1[2H].

What is the InChIKey of 7,22-bis(1-bicyclo[2.2.1]heptanyl)-13-N,28-N-bis(2,3,4,5,6-pentadeuteriophenyl)-13-N,28-N-bis[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-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(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-13,28-diamine?

The InChIKey is GVNGMBGKNRYPQY-MJNNCZHLSA-N. The full InChI is InChI=1S/C80H62N4/c1-5-19-53(20-6-1)57-27-13-15-33-67(57)81(55-23-9-3-10-24-55)69-37-35-59-63-47-72-64(48-71(63)83-75-61(73(69)77(59)83)29-17-31-65(75)79-43-39-51(49-79)40-44-79)60-36-38-70(74-62-30-18-32-66(76(62)84(72)78(60)74)80-45-41-52(50-80)42-46-80)82(56-25-11-4-12-26-56)68-34-16-14-28-58(68)54-21-7-2-8-22-54/h1-38,47-48,51-52H,39-46,49-50H2/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,33D,34D.

What are the key properties of 7,22-bis(1-bicyclo[2.2.1]heptanyl)-13-N,28-N-bis(2,3,4,5,6-pentadeuteriophenyl)-13-N,28-N-bis[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-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(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-13,28-diamine?

7,22-bis(1-bicyclo[2.2.1]heptanyl)-13-N,28-N-bis(2,3,4,5,6-pentadeuteriophenyl)-13-N,28-N-bis[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-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(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-13,28-diamine has a molecular weight of 1107.57 g/mol, XLogP of 21.92, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7,22-bis(1-bicyclo[2.2.1]heptanyl)-13-N,28-N-bis(2,3,4,5,6-pentadeuteriophenyl)-13-N,28-N-bis[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-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(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-13,28-diamine is sourced from PubChem (CID 167343377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).