N,N-bis(4-tert-butylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;N,N-bis(4-tert-butylphenyl)-5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;N,N-bis(4-tert-butylphenyl)-5-(2,6-dipyridin-2-yl-4-pyridinyl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine

C181H160N14 — CID 163774042

About N,N-bis(4-tert-butylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;N,N-bis(4-tert-butylphenyl)-5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;N,N-bis(4-tert-butylphenyl)-5-(2,6-dipyridin-2-yl-4-pyridinyl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine

N,N-bis(4-tert-butylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;N,N-bis(4-tert-butylphenyl)-5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;N,N-bis(4-tert-butylphenyl)-5-(2,6-dipyridin-2-yl-4-pyridinyl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine (PubChem CID 163774042) has the molecular formula C181H160N14 and a molecular weight of 2531.37 g/mol. Its IUPAC name is N,N-bis(4-tert-butylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;N,N-bis(4-tert-butylphenyl)-5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;N,N-bis(4-tert-butylphenyl)-5-(2,6-dipyridin-2-yl-4-pyridinyl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine.

Molecular Properties

• Compound Name: N,N-bis(4-tert-butylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;N,N-bis(4-tert-butylphenyl)-5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;N,N-bis(4-tert-butylphenyl)-5-(2,6-dipyridin-2-yl-4-pyridinyl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine
• PubChem CID: 163774042
• Molecular Formula: C181H160N14
• Molecular Weight: 2531.37 g/mol
• Exact Mass: 2529.30
• IUPAC Name: N,N-bis(4-tert-butylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;N,N-bis(4-tert-butylphenyl)-5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;N,N-bis(4-tert-butylphenyl)-5-(2,6-dipyridin-2-yl-4-pyridinyl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine
• SMILES: CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3c4c(c2)c2c5ccccc5ccc2n4-c2ccc(-c4cc(-c5ccccn5)cc(-c5ccccn5)c4)cc2C3(C)C)cc1.CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3c4c(c2)c2c5ccccc5ccc2n4-c2ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc2C3(C)C)cc1.CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3c4c(c2)c2c5ccccc5ccc2n4-c2ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc2C3(C)C)cc1
• InChI: InChI=1S/C61H54N4.2C60H53N5/c1-59(2,3)44-21-25-46(26-22-44)64(47-27-23-45(24-28-47)60(4,5)6)48-37-50-57-49-16-10-9-15-39(49)19-30-56(57)65-55-29-20-40(36-51(55)61(7,8)52(38-48)58(50)65)41-33-42(53-17-11-13-31-62-53)35-43(34-41)54-18-12-14-32-63-54;1-58(2,3)42-25-29-44(30-26-42)64(45-31-27-43(28-32-45)59(4,5)6)46-36-48-53-47-22-16-15-17-38(47)23-34-52(53)65-51-33-24-41(35-49(51)60(7,8)50(37-46)54(48)65)57-62-55(39-18-11-9-12-19-39)61-56(63-57)40-20-13-10-14-21-40;1-58(2,3)41-21-25-43(26-22-41)64(44-27-23-42(24-28-44)59(4,5)6)45-36-47-56-46-16-10-9-15-38(46)19-30-55(56)65-54-29-20-39(33-48(54)60(7,8)49(37-45)57(47)65)40-34-52(50-17-11-13-31-61-50)63-53(35-40)51-18-12-14-32-62-51/h9-38H,1-8H3;2*9-37H,1-8H3
• InChIKey: MIWKIRSAKUJKSM-UHFFFAOYSA-N
• XLogP: 48.09
• TPSA: 127.63 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 18
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2531.37
LogP ≤ 5	48.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-tert-butylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;N,N-bis(4-tert-butylphenyl)-5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;N,N-bis(4-tert-butylphenyl)-5-(2,6-dipyridin-2-yl-4-pyridinyl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine?

The IUPAC name of N,N-bis(4-tert-butylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;N,N-bis(4-tert-butylphenyl)-5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;N,N-bis(4-tert-butylphenyl)-5-(2,6-dipyridin-2-yl-4-pyridinyl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine (CID 163774042) is N,N-bis(4-tert-butylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;N,N-bis(4-tert-butylphenyl)-5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;N,N-bis(4-tert-butylphenyl)-5-(2,6-dipyridin-2-yl-4-pyridinyl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine.

What is the SMILES notation for N,N-bis(4-tert-butylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;N,N-bis(4-tert-butylphenyl)-5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;N,N-bis(4-tert-butylphenyl)-5-(2,6-dipyridin-2-yl-4-pyridinyl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine?

The canonical SMILES for N,N-bis(4-tert-butylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;N,N-bis(4-tert-butylphenyl)-5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;N,N-bis(4-tert-butylphenyl)-5-(2,6-dipyridin-2-yl-4-pyridinyl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine is CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3c4c(c2)c2c5ccccc5ccc2n4-c2ccc(-c4cc(-c5ccccn5)cc(-c5ccccn5)c4)cc2C3(C)C)cc1.CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3c4c(c2)c2c5ccccc5ccc2n4-c2ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc2C3(C)C)cc1.CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3c4c(c2)c2c5ccccc5ccc2n4-c2ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc2C3(C)C)cc1.

What is the InChIKey of N,N-bis(4-tert-butylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;N,N-bis(4-tert-butylphenyl)-5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;N,N-bis(4-tert-butylphenyl)-5-(2,6-dipyridin-2-yl-4-pyridinyl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine?

The InChIKey is MIWKIRSAKUJKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H54N4.2C60H53N5/c1-59(2,3)44-21-25-46(26-22-44)64(47-27-23-45(24-28-47)60(4,5)6)48-37-50-57-49-16-10-9-15-39(49)19-30-56(57)65-55-29-20-40(36-51(55)61(7,8)52(38-48)58(50)65)41-33-42(53-17-11-13-31-62-53)35-43(34-41)54-18-12-14-32-63-54;1-58(2,3)42-25-29-44(30-26-42)64(45-31-27-43(28-32-45)59(4,5)6)46-36-48-53-47-22-16-15-17-38(47)23-34-52(53)65-51-33-24-41(35-49(51)60(7,8)50(37-46)54(48)65)57-62-55(39-18-11-9-12-19-39)61-56(63-57)40-20-13-10-14-21-40;1-58(2,3)41-21-25-43(26-22-41)64(44-27-23-42(24-28-44)59(4,5)6)45-36-47-56-46-16-10-9-15-38(46)19-30-55(56)65-54-29-20-39(33-48(54)60(7,8)49(37-45)57(47)65)40-34-52(50-17-11-13-31-61-50)63-53(35-40)51-18-12-14-32-62-51/h9-38H,1-8H3;2*9-37H,1-8H3.

What are the key properties of N,N-bis(4-tert-butylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;N,N-bis(4-tert-butylphenyl)-5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;N,N-bis(4-tert-butylphenyl)-5-(2,6-dipyridin-2-yl-4-pyridinyl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine?

N,N-bis(4-tert-butylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;N,N-bis(4-tert-butylphenyl)-5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;N,N-bis(4-tert-butylphenyl)-5-(2,6-dipyridin-2-yl-4-pyridinyl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine has a molecular weight of 2531.37 g/mol, XLogP of 48.09, 18 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-bis(4-tert-butylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;N,N-bis(4-tert-butylphenyl)-5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;N,N-bis(4-tert-butylphenyl)-5-(2,6-dipyridin-2-yl-4-pyridinyl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine is sourced from PubChem (CID 163774042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).