9,24-dinaphthalen-1-yl-13-N,28-N-diphenyl-13-N,28-N-bis(4-propan-2-ylphenyl)-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

C80H58N4 — CID 167343496

About 9,24-dinaphthalen-1-yl-13-N,28-N-diphenyl-13-N,28-N-bis(4-propan-2-ylphenyl)-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-dinaphthalen-1-yl-13-N,28-N-diphenyl-13-N,28-N-bis(4-propan-2-ylphenyl)-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 167343496) has the molecular formula C80H58N4 and a molecular weight of 1075.37 g/mol. Its IUPAC name is 9,24-dinaphthalen-1-yl-13-N,28-N-diphenyl-13-N,28-N-bis(4-propan-2-ylphenyl)-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-dinaphthalen-1-yl-13-N,28-N-diphenyl-13-N,28-N-bis(4-propan-2-ylphenyl)-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: 167343496
• Molecular Formula: C80H58N4
• Molecular Weight: 1075.37 g/mol
• Exact Mass: 1074.47
• IUPAC Name: 9,24-dinaphthalen-1-yl-13-N,28-N-diphenyl-13-N,28-N-bis(4-propan-2-ylphenyl)-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: CC(C)c1ccc(N(c2ccccc2)c2ccc3c4cc5c(cc4n4c6ccc(-c7cccc8ccccc78)cc6c2c34)c2ccc(N(c3ccccc3)c3ccc(C(C)C)cc3)c3c4cc(-c6cccc7ccccc67)ccc4n5c23)cc1
• InChI: InChI=1S/C80H58N4/c1-49(2)51-29-35-59(36-30-51)81(57-21-7-5-8-22-57)73-43-39-65-67-47-76-68(48-75(67)83-71-41-33-55(45-69(71)77(73)79(65)83)63-27-15-19-53-17-11-13-25-61(53)63)66-40-44-74(82(58-23-9-6-10-24-58)60-37-31-52(32-38-60)50(3)4)78-70-46-56(34-42-72(70)84(76)80(66)78)64-28-16-20-54-18-12-14-26-62(54)64/h5-50H,1-4H3
• InChIKey: COLNIZXQKDMMSR-UHFFFAOYSA-N
• XLogP: 22.81
• 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	1075.37
LogP ≤ 5	22.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9,24-dinaphthalen-1-yl-13-N,28-N-diphenyl-13-N,28-N-bis(4-propan-2-ylphenyl)-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-dinaphthalen-1-yl-13-N,28-N-diphenyl-13-N,28-N-bis(4-propan-2-ylphenyl)-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 167343496) is 9,24-dinaphthalen-1-yl-13-N,28-N-diphenyl-13-N,28-N-bis(4-propan-2-ylphenyl)-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-dinaphthalen-1-yl-13-N,28-N-diphenyl-13-N,28-N-bis(4-propan-2-ylphenyl)-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-dinaphthalen-1-yl-13-N,28-N-diphenyl-13-N,28-N-bis(4-propan-2-ylphenyl)-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 CC(C)c1ccc(N(c2ccccc2)c2ccc3c4cc5c(cc4n4c6ccc(-c7cccc8ccccc78)cc6c2c34)c2ccc(N(c3ccccc3)c3ccc(C(C)C)cc3)c3c4cc(-c6cccc7ccccc67)ccc4n5c23)cc1.

What is the InChIKey of 9,24-dinaphthalen-1-yl-13-N,28-N-diphenyl-13-N,28-N-bis(4-propan-2-ylphenyl)-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 COLNIZXQKDMMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H58N4/c1-49(2)51-29-35-59(36-30-51)81(57-21-7-5-8-22-57)73-43-39-65-67-47-76-68(48-75(67)83-71-41-33-55(45-69(71)77(73)79(65)83)63-27-15-19-53-17-11-13-25-61(53)63)66-40-44-74(82(58-23-9-6-10-24-58)60-37-31-52(32-38-60)50(3)4)78-70-46-56(34-42-72(70)84(76)80(66)78)64-28-16-20-54-18-12-14-26-62(54)64/h5-50H,1-4H3.

What are the key properties of 9,24-dinaphthalen-1-yl-13-N,28-N-diphenyl-13-N,28-N-bis(4-propan-2-ylphenyl)-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-dinaphthalen-1-yl-13-N,28-N-diphenyl-13-N,28-N-bis(4-propan-2-ylphenyl)-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 1075.37 g/mol, XLogP of 22.81, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9,24-dinaphthalen-1-yl-13-N,28-N-diphenyl-13-N,28-N-bis(4-propan-2-ylphenyl)-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 167343496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).