9-tert-butyl-28-N-(3-tert-butylphenyl)-24-propan-2-yl-13-N-(3-propan-2-ylphenyl)-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

C74H74N4 — CID 167343586

About 9-tert-butyl-28-N-(3-tert-butylphenyl)-24-propan-2-yl-13-N-(3-propan-2-ylphenyl)-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-tert-butyl-28-N-(3-tert-butylphenyl)-24-propan-2-yl-13-N-(3-propan-2-ylphenyl)-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 167343586) has the molecular formula C74H74N4 and a molecular weight of 1019.43 g/mol. Its IUPAC name is 9-tert-butyl-28-N-(3-tert-butylphenyl)-24-propan-2-yl-13-N-(3-propan-2-ylphenyl)-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-tert-butyl-28-N-(3-tert-butylphenyl)-24-propan-2-yl-13-N-(3-propan-2-ylphenyl)-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: 167343586
• Molecular Formula: C74H74N4
• Molecular Weight: 1019.43 g/mol
• Exact Mass: 1018.59
• IUPAC Name: 9-tert-butyl-28-N-(3-tert-butylphenyl)-24-propan-2-yl-13-N-(3-propan-2-ylphenyl)-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(c2cccc(C(C)(C)C)c2)c2ccc3c4cc5c(cc4n4c6ccc(C(C)C)cc6c2c34)c2ccc(N(c3ccc(C(C)C)cc3)c3cccc(C(C)C)c3)c3c4cc(C(C)(C)C)ccc4n5c23)cc1
• InChI: InChI=1S/C74H74N4/c1-43(2)47-21-27-53(28-22-47)75(55-19-15-17-49(37-55)45(5)6)66-36-32-58-60-41-67-59(42-68(60)78-64-34-26-52(74(12,13)14)40-62(64)70(66)72(58)78)57-31-35-65(69-61-38-50(46(7)8)25-33-63(61)77(67)71(57)69)76(54-29-23-48(24-30-54)44(3)4)56-20-16-18-51(39-56)73(9,10)11/h15-46H,1-14H3
• InChIKey: GWDPGUCQHSIIGR-UHFFFAOYSA-N
• XLogP: 22.01
• TPSA: 15.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1019.43
LogP ≤ 5	22.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-tert-butyl-28-N-(3-tert-butylphenyl)-24-propan-2-yl-13-N-(3-propan-2-ylphenyl)-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-tert-butyl-28-N-(3-tert-butylphenyl)-24-propan-2-yl-13-N-(3-propan-2-ylphenyl)-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 167343586) is 9-tert-butyl-28-N-(3-tert-butylphenyl)-24-propan-2-yl-13-N-(3-propan-2-ylphenyl)-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-tert-butyl-28-N-(3-tert-butylphenyl)-24-propan-2-yl-13-N-(3-propan-2-ylphenyl)-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-tert-butyl-28-N-(3-tert-butylphenyl)-24-propan-2-yl-13-N-(3-propan-2-ylphenyl)-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(c2cccc(C(C)(C)C)c2)c2ccc3c4cc5c(cc4n4c6ccc(C(C)C)cc6c2c34)c2ccc(N(c3ccc(C(C)C)cc3)c3cccc(C(C)C)c3)c3c4cc(C(C)(C)C)ccc4n5c23)cc1.

What is the InChIKey of 9-tert-butyl-28-N-(3-tert-butylphenyl)-24-propan-2-yl-13-N-(3-propan-2-ylphenyl)-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 GWDPGUCQHSIIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H74N4/c1-43(2)47-21-27-53(28-22-47)75(55-19-15-17-49(37-55)45(5)6)66-36-32-58-60-41-67-59(42-68(60)78-64-34-26-52(74(12,13)14)40-62(64)70(66)72(58)78)57-31-35-65(69-61-38-50(46(7)8)25-33-63(61)77(67)71(57)69)76(54-29-23-48(24-30-54)44(3)4)56-20-16-18-51(39-56)73(9,10)11/h15-46H,1-14H3.

What are the key properties of 9-tert-butyl-28-N-(3-tert-butylphenyl)-24-propan-2-yl-13-N-(3-propan-2-ylphenyl)-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-tert-butyl-28-N-(3-tert-butylphenyl)-24-propan-2-yl-13-N-(3-propan-2-ylphenyl)-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 1019.43 g/mol, XLogP of 22.01, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-tert-butyl-28-N-(3-tert-butylphenyl)-24-propan-2-yl-13-N-(3-propan-2-ylphenyl)-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 167343586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).