5-N,11-N-bis(4-tert-butylphenyl)-8,8,14,14-tetramethyl-5-N,11-N-bis(4-methylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-5,11-diamine

C58H61N3 — CID 70885498

About 5-N,11-N-bis(4-tert-butylphenyl)-8,8,14,14-tetramethyl-5-N,11-N-bis(4-methylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-5,11-diamine

5-N,11-N-bis(4-tert-butylphenyl)-8,8,14,14-tetramethyl-5-N,11-N-bis(4-methylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-5,11-diamine (PubChem CID 70885498) has the molecular formula C58H61N3 and a molecular weight of 800.15 g/mol. Its IUPAC name is 5-N,11-N-bis(4-tert-butylphenyl)-8,8,14,14-tetramethyl-5-N,11-N-bis(4-methylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-5,11-diamine.

Molecular Properties

• Compound Name: 5-N,11-N-bis(4-tert-butylphenyl)-8,8,14,14-tetramethyl-5-N,11-N-bis(4-methylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-5,11-diamine
• PubChem CID: 70885498
• Molecular Formula: C58H61N3
• Molecular Weight: 800.15 g/mol
• Exact Mass: 799.49
• IUPAC Name: 5-N,11-N-bis(4-tert-butylphenyl)-8,8,14,14-tetramethyl-5-N,11-N-bis(4-methylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-5,11-diamine
• SMILES: Cc1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)C(C)(C)c2cc(N(c4ccc(C)cc4)c4ccc(C(C)(C)C)cc4)cc4c2N3c2ccccc2C4(C)C)cc1
• InChI: InChI=1S/C58H61N3/c1-38-17-25-42(26-18-38)59(44-29-21-40(22-30-44)55(3,4)5)46-33-34-53-49(35-46)58(11,12)51-37-47(36-50-54(51)61(53)52-16-14-13-15-48(52)57(50,9)10)60(43-27-19-39(2)20-28-43)45-31-23-41(24-32-45)56(6,7)8/h13-37H,1-12H3
• InChIKey: GZNQUGVIJCGDOY-UHFFFAOYSA-N
• XLogP: 16.59
• TPSA: 9.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	800.15
LogP ≤ 5	16.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-N,11-N-bis(4-tert-butylphenyl)-8,8,14,14-tetramethyl-5-N,11-N-bis(4-methylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-5,11-diamine?

The IUPAC name of 5-N,11-N-bis(4-tert-butylphenyl)-8,8,14,14-tetramethyl-5-N,11-N-bis(4-methylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-5,11-diamine (CID 70885498) is 5-N,11-N-bis(4-tert-butylphenyl)-8,8,14,14-tetramethyl-5-N,11-N-bis(4-methylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-5,11-diamine.

What is the SMILES notation for 5-N,11-N-bis(4-tert-butylphenyl)-8,8,14,14-tetramethyl-5-N,11-N-bis(4-methylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-5,11-diamine?

The canonical SMILES for 5-N,11-N-bis(4-tert-butylphenyl)-8,8,14,14-tetramethyl-5-N,11-N-bis(4-methylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-5,11-diamine is Cc1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)C(C)(C)c2cc(N(c4ccc(C)cc4)c4ccc(C(C)(C)C)cc4)cc4c2N3c2ccccc2C4(C)C)cc1.

What is the InChIKey of 5-N,11-N-bis(4-tert-butylphenyl)-8,8,14,14-tetramethyl-5-N,11-N-bis(4-methylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-5,11-diamine?

The InChIKey is GZNQUGVIJCGDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H61N3/c1-38-17-25-42(26-18-38)59(44-29-21-40(22-30-44)55(3,4)5)46-33-34-53-49(35-46)58(11,12)51-37-47(36-50-54(51)61(53)52-16-14-13-15-48(52)57(50,9)10)60(43-27-19-39(2)20-28-43)45-31-23-41(24-32-45)56(6,7)8/h13-37H,1-12H3.

What are the key properties of 5-N,11-N-bis(4-tert-butylphenyl)-8,8,14,14-tetramethyl-5-N,11-N-bis(4-methylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-5,11-diamine?

5-N,11-N-bis(4-tert-butylphenyl)-8,8,14,14-tetramethyl-5-N,11-N-bis(4-methylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-5,11-diamine has a molecular weight of 800.15 g/mol, XLogP of 16.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N,11-N-bis(4-tert-butylphenyl)-8,8,14,14-tetramethyl-5-N,11-N-bis(4-methylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-5,11-diamine is sourced from PubChem (CID 70885498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).