13,28-ditert-butyl-14-N,29-N-diphenyl-14-N,29-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(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene-14,29-diamine

C68H62N4 — CID 167343458

About 13,28-ditert-butyl-14-N,29-N-diphenyl-14-N,29-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(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene-14,29-diamine

13,28-ditert-butyl-14-N,29-N-diphenyl-14-N,29-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(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene-14,29-diamine (PubChem CID 167343458) has the molecular formula C68H62N4 and a molecular weight of 935.27 g/mol. Its IUPAC name is 13,28-ditert-butyl-14-N,29-N-diphenyl-14-N,29-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(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene-14,29-diamine.

Molecular Properties

• Compound Name: 13,28-ditert-butyl-14-N,29-N-diphenyl-14-N,29-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(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene-14,29-diamine
• PubChem CID: 167343458
• Molecular Formula: C68H62N4
• Molecular Weight: 935.27 g/mol
• Exact Mass: 934.50
• IUPAC Name: 13,28-ditert-butyl-14-N,29-N-diphenyl-14-N,29-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(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene-14,29-diamine
• SMILES: CC(C)c1ccc(N(c2ccccc2)c2cc3c4cc5c(cc4n4c6ccccc6c(c2C(C)(C)C)c34)c2cc(N(c3ccccc3)c3ccc(C(C)C)cc3)c(C(C)(C)C)c3c4ccccc4n5c23)cc1
• InChI: InChI=1S/C68H62N4/c1-41(2)43-29-33-47(34-30-43)69(45-21-13-11-14-22-45)59-39-53-51-37-58-52(38-57(51)71-55-27-19-17-25-49(55)61(65(53)71)63(59)67(5,6)7)54-40-60(64(68(8,9)10)62-50-26-18-20-28-56(50)72(58)66(54)62)70(46-23-15-12-16-24-46)48-35-31-44(32-36-48)42(3)4/h11-42H,1-10H3
• InChIKey: OGRGZRHTVVCHNY-UHFFFAOYSA-N
• XLogP: 19.77
• TPSA: 15.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	935.27
LogP ≤ 5	19.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 13,28-ditert-butyl-14-N,29-N-diphenyl-14-N,29-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(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene-14,29-diamine?

The IUPAC name of 13,28-ditert-butyl-14-N,29-N-diphenyl-14-N,29-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(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene-14,29-diamine (CID 167343458) is 13,28-ditert-butyl-14-N,29-N-diphenyl-14-N,29-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(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene-14,29-diamine.

What is the SMILES notation for 13,28-ditert-butyl-14-N,29-N-diphenyl-14-N,29-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(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene-14,29-diamine?

The canonical SMILES for 13,28-ditert-butyl-14-N,29-N-diphenyl-14-N,29-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(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene-14,29-diamine is CC(C)c1ccc(N(c2ccccc2)c2cc3c4cc5c(cc4n4c6ccccc6c(c2C(C)(C)C)c34)c2cc(N(c3ccccc3)c3ccc(C(C)C)cc3)c(C(C)(C)C)c3c4ccccc4n5c23)cc1.

What is the InChIKey of 13,28-ditert-butyl-14-N,29-N-diphenyl-14-N,29-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(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene-14,29-diamine?

The InChIKey is OGRGZRHTVVCHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H62N4/c1-41(2)43-29-33-47(34-30-43)69(45-21-13-11-14-22-45)59-39-53-51-37-58-52(38-57(51)71-55-27-19-17-25-49(55)61(65(53)71)63(59)67(5,6)7)54-40-60(64(68(8,9)10)62-50-26-18-20-28-56(50)72(58)66(54)62)70(46-23-15-12-16-24-46)48-35-31-44(32-36-48)42(3)4/h11-42H,1-10H3.

What are the key properties of 13,28-ditert-butyl-14-N,29-N-diphenyl-14-N,29-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(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene-14,29-diamine?

13,28-ditert-butyl-14-N,29-N-diphenyl-14-N,29-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(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene-14,29-diamine has a molecular weight of 935.27 g/mol, XLogP of 19.77, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 13,28-ditert-butyl-14-N,29-N-diphenyl-14-N,29-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(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene-14,29-diamine is sourced from PubChem (CID 167343458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).