4,4,10,10-tetramethyl-N-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-N-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine

C62H70N4 — CID 90201421

About 4,4,10,10-tetramethyl-N-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-N-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine

4,4,10,10-tetramethyl-N-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-N-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine (PubChem CID 90201421) has the molecular formula C62H70N4 and a molecular weight of 871.27 g/mol. Its IUPAC name is 4,4,10,10-tetramethyl-N-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-N-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine.

Molecular Properties

• Compound Name: 4,4,10,10-tetramethyl-N-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-N-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine
• PubChem CID: 90201421
• Molecular Formula: C62H70N4
• Molecular Weight: 871.27 g/mol
• Exact Mass: 870.56
• IUPAC Name: 4,4,10,10-tetramethyl-N-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-N-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine
• SMILES: CC1(C)CCN2CCC(C)(C)c3cc(N(c4ccc(-c5cc6c7c(c5)C(C)(C)c5ccccc5N7c5ccccc5C6(C)C)cc4)c4cc5c6c(c4)C(C)(C)CCN6CCC5(C)C)cc1c32
• InChI: InChI=1S/C62H70N4/c1-57(2)25-29-63-30-26-58(3,4)47-36-42(35-46(57)54(47)63)65(43-37-48-55-49(38-43)60(7,8)28-32-64(55)31-27-59(48,5)6)41-23-21-39(22-24-41)40-33-50-56-51(34-40)62(11,12)45-18-14-16-20-53(45)66(56)52-19-15-13-17-44(52)61(50,9)10/h13-24,33-38H,25-32H2,1-12H3
• InChIKey: GNOCBWCLTVXPFY-UHFFFAOYSA-N
• XLogP: 15.91
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	871.27
LogP ≤ 5	15.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4,4,10,10-tetramethyl-N-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-N-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine?

The IUPAC name of 4,4,10,10-tetramethyl-N-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-N-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine (CID 90201421) is 4,4,10,10-tetramethyl-N-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-N-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine.

What is the SMILES notation for 4,4,10,10-tetramethyl-N-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-N-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine?

The canonical SMILES for 4,4,10,10-tetramethyl-N-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-N-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine is CC1(C)CCN2CCC(C)(C)c3cc(N(c4ccc(-c5cc6c7c(c5)C(C)(C)c5ccccc5N7c5ccccc5C6(C)C)cc4)c4cc5c6c(c4)C(C)(C)CCN6CCC5(C)C)cc1c32.

What is the InChIKey of 4,4,10,10-tetramethyl-N-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-N-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine?

The InChIKey is GNOCBWCLTVXPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H70N4/c1-57(2)25-29-63-30-26-58(3,4)47-36-42(35-46(57)54(47)63)65(43-37-48-55-49(38-43)60(7,8)28-32-64(55)31-27-59(48,5)6)41-23-21-39(22-24-41)40-33-50-56-51(34-40)62(11,12)45-18-14-16-20-53(45)66(56)52-19-15-13-17-44(52)61(50,9)10/h13-24,33-38H,25-32H2,1-12H3.

What are the key properties of 4,4,10,10-tetramethyl-N-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-N-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine?

4,4,10,10-tetramethyl-N-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-N-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine has a molecular weight of 871.27 g/mol, XLogP of 15.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4,4,10,10-tetramethyl-N-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-N-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine is sourced from PubChem (CID 90201421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).