9,24-ditert-butyl-13-N-(4-tert-butylphenyl)-28-N-phenyl-13-N,28-N-bis(1-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)-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

C86H78N4 — CID 171728810

About 9,24-ditert-butyl-13-N-(4-tert-butylphenyl)-28-N-phenyl-13-N,28-N-bis(1-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)-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-(4-tert-butylphenyl)-28-N-phenyl-13-N,28-N-bis(1-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)-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 171728810) has the molecular formula C86H78N4 and a molecular weight of 1167.60 g/mol. Its IUPAC name is 9,24-ditert-butyl-13-N-(4-tert-butylphenyl)-28-N-phenyl-13-N,28-N-bis(1-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)-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-(4-tert-butylphenyl)-28-N-phenyl-13-N,28-N-bis(1-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)-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: 171728810
• Molecular Formula: C86H78N4
• Molecular Weight: 1167.60 g/mol
• Exact Mass: 1166.62
• IUPAC Name: 9,24-ditert-butyl-13-N-(4-tert-butylphenyl)-28-N-phenyl-13-N,28-N-bis(1-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)-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)c1ccc(N(c2ccc3c(c2-c2ccccc2)CCCC3)c2ccc3c4cc5c(cc4n4c6ccc(C(C)(C)C)cc6c2c34)c2ccc(N(c3ccccc3)c3ccc4c(c3-c3ccccc3)CCCC4)c3c4cc(C(C)(C)C)ccc4n5c23)cc1
• InChI: InChI=1S/C86H78N4/c1-84(2,3)57-35-39-61(40-36-57)88(73-44-34-54-24-20-22-32-63(54)79(73)56-27-15-11-16-28-56)75-48-42-65-67-52-76-66(51-77(67)90-71-46-38-59(86(7,8)9)50-69(71)81(75)83(65)90)64-41-47-74(80-68-49-58(85(4,5)6)37-45-70(68)89(76)82(64)80)87(60-29-17-12-18-30-60)72-43-33-53-23-19-21-31-62(53)78(72)55-25-13-10-14-26-55/h10-18,25-30,33-52H,19-24,31-32H2,1-9H3
• InChIKey: ULDLBRWZGNYWKW-UHFFFAOYSA-N
• XLogP: 23.91
• TPSA: 15.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1167.60
LogP ≤ 5	23.91
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-(4-tert-butylphenyl)-28-N-phenyl-13-N,28-N-bis(1-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)-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-(4-tert-butylphenyl)-28-N-phenyl-13-N,28-N-bis(1-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)-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 171728810) is 9,24-ditert-butyl-13-N-(4-tert-butylphenyl)-28-N-phenyl-13-N,28-N-bis(1-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)-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-(4-tert-butylphenyl)-28-N-phenyl-13-N,28-N-bis(1-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)-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-(4-tert-butylphenyl)-28-N-phenyl-13-N,28-N-bis(1-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)-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)c1ccc(N(c2ccc3c(c2-c2ccccc2)CCCC3)c2ccc3c4cc5c(cc4n4c6ccc(C(C)(C)C)cc6c2c34)c2ccc(N(c3ccccc3)c3ccc4c(c3-c3ccccc3)CCCC4)c3c4cc(C(C)(C)C)ccc4n5c23)cc1.

What is the InChIKey of 9,24-ditert-butyl-13-N-(4-tert-butylphenyl)-28-N-phenyl-13-N,28-N-bis(1-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)-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 ULDLBRWZGNYWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H78N4/c1-84(2,3)57-35-39-61(40-36-57)88(73-44-34-54-24-20-22-32-63(54)79(73)56-27-15-11-16-28-56)75-48-42-65-67-52-76-66(51-77(67)90-71-46-38-59(86(7,8)9)50-69(71)81(75)83(65)90)64-41-47-74(80-68-49-58(85(4,5)6)37-45-70(68)89(76)82(64)80)87(60-29-17-12-18-30-60)72-43-33-53-23-19-21-31-62(53)78(72)55-25-13-10-14-26-55/h10-18,25-30,33-52H,19-24,31-32H2,1-9H3.

What are the key properties of 9,24-ditert-butyl-13-N-(4-tert-butylphenyl)-28-N-phenyl-13-N,28-N-bis(1-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)-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-(4-tert-butylphenyl)-28-N-phenyl-13-N,28-N-bis(1-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)-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 1167.60 g/mol, XLogP of 23.91, 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-(4-tert-butylphenyl)-28-N-phenyl-13-N,28-N-bis(1-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)-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 171728810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).