9,24-bis(1-bicyclo[2.2.1]heptanyl)-13-N,28-N-bis[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-13-N,28-N-diphenyl-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 167343385

About 9,24-bis(1-bicyclo[2.2.1]heptanyl)-13-N,28-N-bis[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-13-N,28-N-diphenyl-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

9,24-bis(1-bicyclo[2.2.1]heptanyl)-13-N,28-N-bis[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-13-N,28-N-diphenyl-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 167343385) has the molecular formula C80H62N4 and a molecular weight of 1089.47 g/mol. Its IUPAC name is 9,24-bis(1-bicyclo[2.2.1]heptanyl)-13-N,28-N-bis[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-13-N,28-N-diphenyl-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: 9,24-bis(1-bicyclo[2.2.1]heptanyl)-13-N,28-N-bis[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-13-N,28-N-diphenyl-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: 167343385
• Molecular Formula: C80H62N4
• Molecular Weight: 1089.47 g/mol
• Exact Mass: 1088.56
• IUPAC Name: 9,24-bis(1-bicyclo[2.2.1]heptanyl)-13-N,28-N-bis[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-13-N,28-N-diphenyl-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(-c2ccccc2N(c2ccccc2)c2ccc3c4cc5c(cc4n4c6ccc(C78CCC(CC7)C8)cc6c2c34)c2ccc(N(c3ccccc3)c3ccccc3-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c3c4cc(C67CCC(CC6)C7)ccc4n5c23)c([2H])c1[2H]
• InChI: InChI=1S/C80H62N4/c1-5-17-53(18-6-1)59-25-13-15-27-67(59)81(57-21-9-3-10-22-57)71-35-31-61-63-47-74-64(48-73(63)83-69-33-29-55(45-65(69)75(71)77(61)83)79-41-37-51(49-79)38-42-79)62-32-36-72(76-66-46-56(30-34-70(66)84(74)78(62)76)80-43-39-52(50-80)40-44-80)82(58-23-11-4-12-24-58)68-28-16-14-26-60(68)54-19-7-2-8-20-54/h1-36,45-48,51-52H,37-44,49-50H2/i1D,2D,5D,6D,7D,8D,17D,18D,19D,20D
• InChIKey: BQJPMFAEZTVTHJ-TZAYFOPYSA-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	1089.47
LogP ≤ 5	21.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9,24-bis(1-bicyclo[2.2.1]heptanyl)-13-N,28-N-bis[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-13-N,28-N-diphenyl-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 9,24-bis(1-bicyclo[2.2.1]heptanyl)-13-N,28-N-bis[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-13-N,28-N-diphenyl-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 167343385) is 9,24-bis(1-bicyclo[2.2.1]heptanyl)-13-N,28-N-bis[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-13-N,28-N-diphenyl-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 9,24-bis(1-bicyclo[2.2.1]heptanyl)-13-N,28-N-bis[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-13-N,28-N-diphenyl-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 9,24-bis(1-bicyclo[2.2.1]heptanyl)-13-N,28-N-bis[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-13-N,28-N-diphenyl-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(-c2ccccc2N(c2ccccc2)c2ccc3c4cc5c(cc4n4c6ccc(C78CCC(CC7)C8)cc6c2c34)c2ccc(N(c3ccccc3)c3ccccc3-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c3c4cc(C67CCC(CC6)C7)ccc4n5c23)c([2H])c1[2H].

What is the InChIKey of 9,24-bis(1-bicyclo[2.2.1]heptanyl)-13-N,28-N-bis[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-13-N,28-N-diphenyl-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 BQJPMFAEZTVTHJ-TZAYFOPYSA-N. The full InChI is InChI=1S/C80H62N4/c1-5-17-53(18-6-1)59-25-13-15-27-67(59)81(57-21-9-3-10-22-57)71-35-31-61-63-47-74-64(48-73(63)83-69-33-29-55(45-65(69)75(71)77(61)83)79-41-37-51(49-79)38-42-79)62-32-36-72(76-66-46-56(30-34-70(66)84(74)78(62)76)80-43-39-52(50-80)40-44-80)82(58-23-11-4-12-24-58)68-28-16-14-26-60(68)54-19-7-2-8-20-54/h1-36,45-48,51-52H,37-44,49-50H2/i1D,2D,5D,6D,7D,8D,17D,18D,19D,20D.

What are the key properties of 9,24-bis(1-bicyclo[2.2.1]heptanyl)-13-N,28-N-bis[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-13-N,28-N-diphenyl-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?

9,24-bis(1-bicyclo[2.2.1]heptanyl)-13-N,28-N-bis[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-13-N,28-N-diphenyl-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 1089.47 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 9,24-bis(1-bicyclo[2.2.1]heptanyl)-13-N,28-N-bis[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-13-N,28-N-diphenyl-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 167343385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).