9,24-ditert-butyl-13-N,28-N-bis(4-naphthalen-2-ylphenyl)-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

C82H62N4 — CID 167105330

About 9,24-ditert-butyl-13-N,28-N-bis(4-naphthalen-2-ylphenyl)-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-ditert-butyl-13-N,28-N-bis(4-naphthalen-2-ylphenyl)-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 167105330) has the molecular formula C82H62N4 and a molecular weight of 1103.43 g/mol. Its IUPAC name is 9,24-ditert-butyl-13-N,28-N-bis(4-naphthalen-2-ylphenyl)-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-ditert-butyl-13-N,28-N-bis(4-naphthalen-2-ylphenyl)-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: 167105330
• Molecular Formula: C82H62N4
• Molecular Weight: 1103.43 g/mol
• Exact Mass: 1102.50
• IUPAC Name: 9,24-ditert-butyl-13-N,28-N-bis(4-naphthalen-2-ylphenyl)-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: CC(C)(C)c1ccc2c(c1)c1c(N(c3ccccc3)c3ccc(-c4ccc5ccccc5c4)cc3)ccc3c4cc5c(cc4n2c31)c1ccc(N(c2ccccc2)c2ccc(-c3ccc4ccccc4c3)cc2)c2c3cc(C(C)(C)C)ccc3n5c12
• InChI: InChI=1S/C82H62N4/c1-81(2,3)59-33-41-71-69(47-59)77-73(83(61-21-9-7-10-22-61)63-35-29-53(30-36-63)57-27-25-51-17-13-15-19-55(51)45-57)43-39-65-67-50-76-68(49-75(67)85(71)79(65)77)66-40-44-74(78-70-48-60(82(4,5)6)34-42-72(70)86(76)80(66)78)84(62-23-11-8-12-24-62)64-37-31-54(32-38-64)58-28-26-52-18-14-16-20-56(52)46-58/h7-50H,1-6H3
• InChIKey: JDKOVUBMEUFWDX-UHFFFAOYSA-N
• XLogP: 23.16
• TPSA: 15.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1103.43
LogP ≤ 5	23.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9,24-ditert-butyl-13-N,28-N-bis(4-naphthalen-2-ylphenyl)-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-ditert-butyl-13-N,28-N-bis(4-naphthalen-2-ylphenyl)-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 167105330) is 9,24-ditert-butyl-13-N,28-N-bis(4-naphthalen-2-ylphenyl)-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-ditert-butyl-13-N,28-N-bis(4-naphthalen-2-ylphenyl)-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-ditert-butyl-13-N,28-N-bis(4-naphthalen-2-ylphenyl)-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 CC(C)(C)c1ccc2c(c1)c1c(N(c3ccccc3)c3ccc(-c4ccc5ccccc5c4)cc3)ccc3c4cc5c(cc4n2c31)c1ccc(N(c2ccccc2)c2ccc(-c3ccc4ccccc4c3)cc2)c2c3cc(C(C)(C)C)ccc3n5c12.

What is the InChIKey of 9,24-ditert-butyl-13-N,28-N-bis(4-naphthalen-2-ylphenyl)-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 JDKOVUBMEUFWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H62N4/c1-81(2,3)59-33-41-71-69(47-59)77-73(83(61-21-9-7-10-22-61)63-35-29-53(30-36-63)57-27-25-51-17-13-15-19-55(51)45-57)43-39-65-67-50-76-68(49-75(67)85(71)79(65)77)66-40-44-74(78-70-48-60(82(4,5)6)34-42-72(70)86(76)80(66)78)84(62-23-11-8-12-24-62)64-37-31-54(32-38-64)58-28-26-52-18-14-16-20-56(52)46-58/h7-50H,1-6H3.

What are the key properties of 9,24-ditert-butyl-13-N,28-N-bis(4-naphthalen-2-ylphenyl)-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-ditert-butyl-13-N,28-N-bis(4-naphthalen-2-ylphenyl)-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 1103.43 g/mol, XLogP of 23.16, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9,24-ditert-butyl-13-N,28-N-bis(4-naphthalen-2-ylphenyl)-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 167105330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).