5-N,17-N-bis(4-tert-butylphenyl)-8,8,14,14-tetramethyl-5-N,17-N-dinaphthalen-1-yl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-5,17-diamine

C64H59N3 — CID 70893326

About 5-N,17-N-bis(4-tert-butylphenyl)-8,8,14,14-tetramethyl-5-N,17-N-dinaphthalen-1-yl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-5,17-diamine

5-N,17-N-bis(4-tert-butylphenyl)-8,8,14,14-tetramethyl-5-N,17-N-dinaphthalen-1-yl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-5,17-diamine (PubChem CID 70893326) has the molecular formula C64H59N3 and a molecular weight of 870.20 g/mol. Its IUPAC name is 5-N,17-N-bis(4-tert-butylphenyl)-8,8,14,14-tetramethyl-5-N,17-N-dinaphthalen-1-yl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-5,17-diamine.

Molecular Properties

• Compound Name: 5-N,17-N-bis(4-tert-butylphenyl)-8,8,14,14-tetramethyl-5-N,17-N-dinaphthalen-1-yl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-5,17-diamine
• PubChem CID: 70893326
• Molecular Formula: C64H59N3
• Molecular Weight: 870.20 g/mol
• Exact Mass: 869.47
• IUPAC Name: 5-N,17-N-bis(4-tert-butylphenyl)-8,8,14,14-tetramethyl-5-N,17-N-dinaphthalen-1-yl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-5,17-diamine
• SMILES: CC(C)(C)c1ccc(N(c2cc3c4c(c2)c2cc(N(c5ccc(C(C)(C)C)cc5)c5cccc6ccccc56)cc5c2n4-c2c(cccc2C5(C)C)C3(C)C)c2cccc3ccccc23)cc1
• InChI: InChI=1S/C64H59N3/c1-61(2,3)42-28-32-44(33-29-42)65(56-26-15-20-40-18-11-13-22-48(40)56)46-36-50-51-37-47(66(45-34-30-43(31-35-45)62(4,5)6)57-27-16-21-41-19-12-14-23-49(41)57)39-55-59(51)67-58(50)54(38-46)63(7,8)52-24-17-25-53(60(52)67)64(55,9)10/h11-39H,1-10H3
• InChIKey: PFFBKZVMYQFIKS-UHFFFAOYSA-N
• XLogP: 17.90
• TPSA: 11.41 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	870.20
LogP ≤ 5	17.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-N,17-N-bis(4-tert-butylphenyl)-8,8,14,14-tetramethyl-5-N,17-N-dinaphthalen-1-yl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-5,17-diamine?

The IUPAC name of 5-N,17-N-bis(4-tert-butylphenyl)-8,8,14,14-tetramethyl-5-N,17-N-dinaphthalen-1-yl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-5,17-diamine (CID 70893326) is 5-N,17-N-bis(4-tert-butylphenyl)-8,8,14,14-tetramethyl-5-N,17-N-dinaphthalen-1-yl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-5,17-diamine.

What is the SMILES notation for 5-N,17-N-bis(4-tert-butylphenyl)-8,8,14,14-tetramethyl-5-N,17-N-dinaphthalen-1-yl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-5,17-diamine?

The canonical SMILES for 5-N,17-N-bis(4-tert-butylphenyl)-8,8,14,14-tetramethyl-5-N,17-N-dinaphthalen-1-yl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-5,17-diamine is CC(C)(C)c1ccc(N(c2cc3c4c(c2)c2cc(N(c5ccc(C(C)(C)C)cc5)c5cccc6ccccc56)cc5c2n4-c2c(cccc2C5(C)C)C3(C)C)c2cccc3ccccc23)cc1.

What is the InChIKey of 5-N,17-N-bis(4-tert-butylphenyl)-8,8,14,14-tetramethyl-5-N,17-N-dinaphthalen-1-yl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-5,17-diamine?

The InChIKey is PFFBKZVMYQFIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H59N3/c1-61(2,3)42-28-32-44(33-29-42)65(56-26-15-20-40-18-11-13-22-48(40)56)46-36-50-51-37-47(66(45-34-30-43(31-35-45)62(4,5)6)57-27-16-21-41-19-12-14-23-49(41)57)39-55-59(51)67-58(50)54(38-46)63(7,8)52-24-17-25-53(60(52)67)64(55,9)10/h11-39H,1-10H3.

What are the key properties of 5-N,17-N-bis(4-tert-butylphenyl)-8,8,14,14-tetramethyl-5-N,17-N-dinaphthalen-1-yl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-5,17-diamine?

5-N,17-N-bis(4-tert-butylphenyl)-8,8,14,14-tetramethyl-5-N,17-N-dinaphthalen-1-yl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-5,17-diamine has a molecular weight of 870.20 g/mol, XLogP of 17.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N,17-N-bis(4-tert-butylphenyl)-8,8,14,14-tetramethyl-5-N,17-N-dinaphthalen-1-yl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-5,17-diamine is sourced from PubChem (CID 70893326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).