8,8,14,14,22,22-hexamethyl-5-N,5-N,11-N,11-N,17-N,17-N-hexakis-phenyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine

C63H54N4 — CID 158487565

About 8,8,14,14,22,22-hexamethyl-5-N,5-N,11-N,11-N,17-N,17-N-hexakis-phenyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine

8,8,14,14,22,22-hexamethyl-5-N,5-N,11-N,11-N,17-N,17-N-hexakis-phenyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine (PubChem CID 158487565) has the molecular formula C63H54N4 and a molecular weight of 867.15 g/mol. Its IUPAC name is 8,8,14,14,22,22-hexamethyl-5-N,5-N,11-N,11-N,17-N,17-N-hexakis-phenyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine.

Molecular Properties

• Compound Name: 8,8,14,14,22,22-hexamethyl-5-N,5-N,11-N,11-N,17-N,17-N-hexakis-phenyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine
• PubChem CID: 158487565
• Molecular Formula: C63H54N4
• Molecular Weight: 867.15 g/mol
• Exact Mass: 866.43
• IUPAC Name: 8,8,14,14,22,22-hexamethyl-5-N,5-N,11-N,11-N,17-N,17-N-hexakis-phenyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine
• SMILES: CC1(C)c2cc(N(c3ccccc3)c3ccccc3)cc3c2N2c4c1cc(N(c1ccccc1)c1ccccc1)cc4C(C)(C)c1cc(N(c4ccccc4)c4ccccc4)cc(c12)C3(C)C
• InChI: InChI=1S/C63H54N4/c1-61(2)52-37-49(64(43-25-13-7-14-26-43)44-27-15-8-16-28-44)39-54-58(52)67-59-53(61)38-50(65(45-29-17-9-18-30-45)46-31-19-10-20-32-46)40-55(59)63(5,6)57-42-51(41-56(60(57)67)62(54,3)4)66(47-33-21-11-22-34-47)48-35-23-12-24-36-48/h7-42H,1-6H3
• InChIKey: HIHANFVLWYQLKQ-UHFFFAOYSA-N
• XLogP: 17.48
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	867.15
LogP ≤ 5	17.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8,8,14,14,22,22-hexamethyl-5-N,5-N,11-N,11-N,17-N,17-N-hexakis-phenyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine?

The IUPAC name of 8,8,14,14,22,22-hexamethyl-5-N,5-N,11-N,11-N,17-N,17-N-hexakis-phenyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine (CID 158487565) is 8,8,14,14,22,22-hexamethyl-5-N,5-N,11-N,11-N,17-N,17-N-hexakis-phenyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine.

What is the SMILES notation for 8,8,14,14,22,22-hexamethyl-5-N,5-N,11-N,11-N,17-N,17-N-hexakis-phenyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine?

The canonical SMILES for 8,8,14,14,22,22-hexamethyl-5-N,5-N,11-N,11-N,17-N,17-N-hexakis-phenyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine is CC1(C)c2cc(N(c3ccccc3)c3ccccc3)cc3c2N2c4c1cc(N(c1ccccc1)c1ccccc1)cc4C(C)(C)c1cc(N(c4ccccc4)c4ccccc4)cc(c12)C3(C)C.

What is the InChIKey of 8,8,14,14,22,22-hexamethyl-5-N,5-N,11-N,11-N,17-N,17-N-hexakis-phenyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine?

The InChIKey is HIHANFVLWYQLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H54N4/c1-61(2)52-37-49(64(43-25-13-7-14-26-43)44-27-15-8-16-28-44)39-54-58(52)67-59-53(61)38-50(65(45-29-17-9-18-30-45)46-31-19-10-20-32-46)40-55(59)63(5,6)57-42-51(41-56(60(57)67)62(54,3)4)66(47-33-21-11-22-34-47)48-35-23-12-24-36-48/h7-42H,1-6H3.

What are the key properties of 8,8,14,14,22,22-hexamethyl-5-N,5-N,11-N,11-N,17-N,17-N-hexakis-phenyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine?

8,8,14,14,22,22-hexamethyl-5-N,5-N,11-N,11-N,17-N,17-N-hexakis-phenyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine has a molecular weight of 867.15 g/mol, XLogP of 17.48, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8,8,14,14,22,22-hexamethyl-5-N,5-N,11-N,11-N,17-N,17-N-hexakis-phenyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine is sourced from PubChem (CID 158487565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).