9,24-ditert-butyl-13-N,28-N-bis(2,6-diphenylphenyl)-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

C86H66N4 — CID 167105332

About 9,24-ditert-butyl-13-N,28-N-bis(2,6-diphenylphenyl)-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(2,6-diphenylphenyl)-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 167105332) has the molecular formula C86H66N4 and a molecular weight of 1155.50 g/mol. Its IUPAC name is 9,24-ditert-butyl-13-N,28-N-bis(2,6-diphenylphenyl)-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(2,6-diphenylphenyl)-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: 167105332
• Molecular Formula: C86H66N4
• Molecular Weight: 1155.50 g/mol
• Exact Mass: 1154.53
• IUPAC Name: 9,24-ditert-butyl-13-N,28-N-bis(2,6-diphenylphenyl)-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)c3c(-c4ccccc4)cccc3-c3ccccc3)ccc3c4cc5c(cc4n2c31)c1ccc(N(c2ccccc2)c2c(-c3ccccc3)cccc2-c2ccccc2)c2c3cc(C(C)(C)C)ccc3n5c12
• InChI: InChI=1S/C86H66N4/c1-85(2,3)59-43-47-73-71(51-59)79-75(87(61-35-21-11-22-36-61)81-63(55-27-13-7-14-28-55)39-25-40-64(81)56-29-15-8-16-30-56)49-45-67-69-54-78-70(53-77(69)89(73)83(67)79)68-46-50-76(80-72-52-60(86(4,5)6)44-48-74(72)90(78)84(68)80)88(62-37-23-12-24-38-62)82-65(57-31-17-9-18-32-57)41-26-42-66(82)58-33-19-10-20-34-58/h7-54H,1-6H3
• InChIKey: CNUOYXRYBSRDPF-UHFFFAOYSA-N
• XLogP: 24.19
• TPSA: 15.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1155.50
LogP ≤ 5	24.19
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(2,6-diphenylphenyl)-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(2,6-diphenylphenyl)-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 167105332) is 9,24-ditert-butyl-13-N,28-N-bis(2,6-diphenylphenyl)-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(2,6-diphenylphenyl)-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(2,6-diphenylphenyl)-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)c3c(-c4ccccc4)cccc3-c3ccccc3)ccc3c4cc5c(cc4n2c31)c1ccc(N(c2ccccc2)c2c(-c3ccccc3)cccc2-c2ccccc2)c2c3cc(C(C)(C)C)ccc3n5c12.

What is the InChIKey of 9,24-ditert-butyl-13-N,28-N-bis(2,6-diphenylphenyl)-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 CNUOYXRYBSRDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H66N4/c1-85(2,3)59-43-47-73-71(51-59)79-75(87(61-35-21-11-22-36-61)81-63(55-27-13-7-14-28-55)39-25-40-64(81)56-29-15-8-16-30-56)49-45-67-69-54-78-70(53-77(69)89(73)83(67)79)68-46-50-76(80-72-52-60(86(4,5)6)44-48-74(72)90(78)84(68)80)88(62-37-23-12-24-38-62)82-65(57-31-17-9-18-32-57)41-26-42-66(82)58-33-19-10-20-34-58/h7-54H,1-6H3.

What are the key properties of 9,24-ditert-butyl-13-N,28-N-bis(2,6-diphenylphenyl)-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(2,6-diphenylphenyl)-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 1155.50 g/mol, XLogP of 24.19, 10 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(2,6-diphenylphenyl)-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 167105332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).