5-N-(4-tert-butylcyclohexa-1,5-dien-1-yl)-5-N,11-N,11-N-tris(4-tert-butylphenyl)-8,8,14,14-tetramethyl-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

C64H75N3 — CID 70886378

About 5-N-(4-tert-butylcyclohexa-1,5-dien-1-yl)-5-N,11-N,11-N-tris(4-tert-butylphenyl)-8,8,14,14-tetramethyl-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-(4-tert-butylcyclohexa-1,5-dien-1-yl)-5-N,11-N,11-N-tris(4-tert-butylphenyl)-8,8,14,14-tetramethyl-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 70886378) has the molecular formula C64H75N3 and a molecular weight of 886.32 g/mol. Its IUPAC name is 5-N-(4-tert-butylcyclohexa-1,5-dien-1-yl)-5-N,11-N,11-N-tris(4-tert-butylphenyl)-8,8,14,14-tetramethyl-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-(4-tert-butylcyclohexa-1,5-dien-1-yl)-5-N,11-N,11-N-tris(4-tert-butylphenyl)-8,8,14,14-tetramethyl-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: 70886378
• Molecular Formula: C64H75N3
• Molecular Weight: 886.32 g/mol
• Exact Mass: 885.60
• IUPAC Name: 5-N-(4-tert-butylcyclohexa-1,5-dien-1-yl)-5-N,11-N,11-N-tris(4-tert-butylphenyl)-8,8,14,14-tetramethyl-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: CC(C)(C)c1ccc(N(C2=CCC(C(C)(C)C)C=C2)c2ccc3c(c2)C(C)(C)c2cc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)cc4c2N3c2ccccc2C4(C)C)cc1
• InChI: InChI=1S/C64H75N3/c1-59(2,3)42-21-29-46(30-22-42)65(47-31-23-43(24-32-47)60(4,5)6)50-37-38-57-53(39-50)64(15,16)55-41-51(40-54-58(55)67(57)56-20-18-17-19-52(56)63(54,13)14)66(48-33-25-44(26-34-48)61(7,8)9)49-35-27-45(28-36-49)62(10,11)12/h17-23,25-41,43H,24H2,1-16H3
• InChIKey: WGDWZHNNIPWJCH-UHFFFAOYSA-N
• XLogP: 18.44
• TPSA: 9.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	886.32
LogP ≤ 5	18.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-tert-butylcyclohexa-1,5-dien-1-yl)-5-N,11-N,11-N-tris(4-tert-butylphenyl)-8,8,14,14-tetramethyl-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-(4-tert-butylcyclohexa-1,5-dien-1-yl)-5-N,11-N,11-N-tris(4-tert-butylphenyl)-8,8,14,14-tetramethyl-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 70886378) is 5-N-(4-tert-butylcyclohexa-1,5-dien-1-yl)-5-N,11-N,11-N-tris(4-tert-butylphenyl)-8,8,14,14-tetramethyl-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-(4-tert-butylcyclohexa-1,5-dien-1-yl)-5-N,11-N,11-N-tris(4-tert-butylphenyl)-8,8,14,14-tetramethyl-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-(4-tert-butylcyclohexa-1,5-dien-1-yl)-5-N,11-N,11-N-tris(4-tert-butylphenyl)-8,8,14,14-tetramethyl-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 CC(C)(C)c1ccc(N(C2=CCC(C(C)(C)C)C=C2)c2ccc3c(c2)C(C)(C)c2cc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)cc4c2N3c2ccccc2C4(C)C)cc1.

What is the InChIKey of 5-N-(4-tert-butylcyclohexa-1,5-dien-1-yl)-5-N,11-N,11-N-tris(4-tert-butylphenyl)-8,8,14,14-tetramethyl-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 WGDWZHNNIPWJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H75N3/c1-59(2,3)42-21-29-46(30-22-42)65(47-31-23-43(24-32-47)60(4,5)6)50-37-38-57-53(39-50)64(15,16)55-41-51(40-54-58(55)67(57)56-20-18-17-19-52(56)63(54,13)14)66(48-33-25-44(26-34-48)61(7,8)9)49-35-27-45(28-36-49)62(10,11)12/h17-23,25-41,43H,24H2,1-16H3.

What are the key properties of 5-N-(4-tert-butylcyclohexa-1,5-dien-1-yl)-5-N,11-N,11-N-tris(4-tert-butylphenyl)-8,8,14,14-tetramethyl-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-(4-tert-butylcyclohexa-1,5-dien-1-yl)-5-N,11-N,11-N-tris(4-tert-butylphenyl)-8,8,14,14-tetramethyl-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 886.32 g/mol, XLogP of 18.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N-(4-tert-butylcyclohexa-1,5-dien-1-yl)-5-N,11-N,11-N-tris(4-tert-butylphenyl)-8,8,14,14-tetramethyl-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 70886378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).