23-[4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-8,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene

C69H65N3 — CID 176826153

About 23-[4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-8,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene

23-[4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-8,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene (PubChem CID 176826153) has the molecular formula C69H65N3 and a molecular weight of 936.30 g/mol. Its IUPAC name is 23-[4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-8,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene.

Molecular Properties

• Compound Name: 23-[4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-8,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene
• PubChem CID: 176826153
• Molecular Formula: C69H65N3
• Molecular Weight: 936.30 g/mol
• Exact Mass: 935.52
• IUPAC Name: 23-[4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-8,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene
• SMILES: CC(C)(C)c1ccc(N2c3ccc(C(C)(C)C)cc3C3c4cc(C(C)(C)C)ccc4N(c4ccc(C(C)(C)C)cc4)c4cc(-n5c6cccc7c6c6c8c(cccc8ccc65)-c5ccccc5-7)cc2c43)cc1
• InChI: InChI=1S/C69H65N3/c1-66(2,3)42-24-30-46(31-25-42)70-55-35-28-44(68(7,8)9)37-53(55)62-54-38-45(69(10,11)12)29-36-56(54)71(47-32-26-43(27-33-47)67(4,5)6)60-40-48(39-59(70)64(60)62)72-57-22-16-21-52-50-19-14-13-18-49(50)51-20-15-17-41-23-34-58(72)65(61(41)51)63(52)57/h13-40,62H,1-12H3
• InChIKey: QUVOJOXEYLQSSI-UHFFFAOYSA-N
• XLogP: 19.52
• TPSA: 11.41 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	936.30
LogP ≤ 5	19.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 23-[4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-8,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene?

The IUPAC name of 23-[4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-8,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene (CID 176826153) is 23-[4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-8,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene.

What is the SMILES notation for 23-[4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-8,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene?

The canonical SMILES for 23-[4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-8,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene is CC(C)(C)c1ccc(N2c3ccc(C(C)(C)C)cc3C3c4cc(C(C)(C)C)ccc4N(c4ccc(C(C)(C)C)cc4)c4cc(-n5c6cccc7c6c6c8c(cccc8ccc65)-c5ccccc5-7)cc2c43)cc1.

What is the InChIKey of 23-[4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-8,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene?

The InChIKey is QUVOJOXEYLQSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H65N3/c1-66(2,3)42-24-30-46(31-25-42)70-55-35-28-44(68(7,8)9)37-53(55)62-54-38-45(69(10,11)12)29-36-56(54)71(47-32-26-43(27-33-47)67(4,5)6)60-40-48(39-59(70)64(60)62)72-57-22-16-21-52-50-19-14-13-18-49(50)51-20-15-17-41-23-34-58(72)65(61(41)51)63(52)57/h13-40,62H,1-12H3.

What are the key properties of 23-[4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-8,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene?

23-[4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-8,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene has a molecular weight of 936.30 g/mol, XLogP of 19.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 23-[4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-8,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene is sourced from PubChem (CID 176826153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).