6-(4-tert-butylphenyl)-20,20-dimethyl-3,10-diphenoxy-N,N-diphenylhexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8,10,12(23),13(21),14(19),15,17-undecaen-17-amine;6-(4-tert-butylphenyl)-N,N-diphenyl-3,10-bis(trimethylsilyl)-20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8,10,12(23),13(21),14(19),15,17-undecaen-17-amine;6-[4-(4-tert-butylphenyl)phenyl]-N,N-dinaphthalen-2-yl-20-phenyl-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,17,22-undecaen-17-amine;20,20-dimethyl-6-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-N,N-diphenylhexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,17,22-undecaen-17-amine

C225H181N5O3Si2 — CID 162198581

About 6-(4-tert-butylphenyl)-20,20-dimethyl-3,10-diphenoxy-N,N-diphenylhexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8,10,12(23),13(21),14(19),15,17-undecaen-17-amine;6-(4-tert-butylphenyl)-N,N-diphenyl-3,10-bis(trimethylsilyl)-20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8,10,12(23),13(21),14(19),15,17-undecaen-17-amine;6-[4-(4-tert-butylphenyl)phenyl]-N,N-dinaphthalen-2-yl-20-phenyl-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,17,22-undecaen-17-amine;20,20-dimethyl-6-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-N,N-diphenylhexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,17,22-undecaen-17-amine

6-(4-tert-butylphenyl)-20,20-dimethyl-3,10-diphenoxy-N,N-diphenylhexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8,10,12(23),13(21),14(19),15,17-undecaen-17-amine;6-(4-tert-butylphenyl)-N,N-diphenyl-3,10-bis(trimethylsilyl)-20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8,10,12(23),13(21),14(19),15,17-undecaen-17-amine;6-[4-(4-tert-butylphenyl)phenyl]-N,N-dinaphthalen-2-yl-20-phenyl-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,17,22-undecaen-17-amine;20,20-dimethyl-6-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-N,N-diphenylhexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,17,22-undecaen-17-amine (PubChem CID 162198581) has the molecular formula C225H181N5O3Si2 and a molecular weight of 3059.13 g/mol. Its IUPAC name is 6-(4-tert-butylphenyl)-20,20-dimethyl-3,10-diphenoxy-N,N-diphenylhexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8,10,12(23),13(21),14(19),15,17-undecaen-17-amine;6-(4-tert-butylphenyl)-N,N-diphenyl-3,10-bis(trimethylsilyl)-20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8,10,12(23),13(21),14(19),15,17-undecaen-17-amine;6-[4-(4-tert-butylphenyl)phenyl]-N,N-dinaphthalen-2-yl-20-phenyl-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,17,22-undecaen-17-amine;20,20-dimethyl-6-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-N,N-diphenylhexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,17,22-undecaen-17-amine.

Molecular Properties

• Compound Name: 6-(4-tert-butylphenyl)-20,20-dimethyl-3,10-diphenoxy-N,N-diphenylhexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8,10,12(23),13(21),14(19),15,17-undecaen-17-amine;6-(4-tert-butylphenyl)-N,N-diphenyl-3,10-bis(trimethylsilyl)-20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8,10,12(23),13(21),14(19),15,17-undecaen-17-amine;6-[4-(4-tert-butylphenyl)phenyl]-N,N-dinaphthalen-2-yl-20-phenyl-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,17,22-undecaen-17-amine;20,20-dimethyl-6-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-N,N-diphenylhexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,17,22-undecaen-17-amine
• PubChem CID: 162198581
• Molecular Formula: C225H181N5O3Si2
• Molecular Weight: 3059.13 g/mol
• Exact Mass: 3056.37
• IUPAC Name: 6-(4-tert-butylphenyl)-20,20-dimethyl-3,10-diphenoxy-N,N-diphenylhexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8,10,12(23),13(21),14(19),15,17-undecaen-17-amine;6-(4-tert-butylphenyl)-N,N-diphenyl-3,10-bis(trimethylsilyl)-20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8,10,12(23),13(21),14(19),15,17-undecaen-17-amine;6-[4-(4-tert-butylphenyl)phenyl]-N,N-dinaphthalen-2-yl-20-phenyl-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,17,22-undecaen-17-amine;20,20-dimethyl-6-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-N,N-diphenylhexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,17,22-undecaen-17-amine
• SMILES: CC(C)(C)c1ccc(-c2cc3cc(Oc4ccccc4)cc4c5c(c6cc(Oc7ccccc7)cc2c6c34)C(C)(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-5)cc1.CC(C)(C)c1ccc(-c2cc3cc([Si](C)(C)C)cc4c5c6ccc(N(c7ccccc7)c7ccccc7)cc6oc5c5cc([Si](C)(C)C)cc2c5c34)cc1.CC(C)(C)c1ccc(-c2ccc(-c3cc4cccc5c4c4c3cccc4c3c5c4ccc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)cc4n3-c3ccccc3)cc2)cc1.Cc1ccc(/C=C/c2ccc(-c3cc4cccc5c6c(c7cccc3c7c45)C(C)(C)c3cc(N(c4ccccc4)c4ccccc4)ccc3-6)cc2)cc1
• InChI: InChI=1S/C64H46N2.C59H47NO2.C52H39N.C50H49NOSi2/c1-64(2,3)49-31-27-44(28-32-49)43-23-25-45(26-24-43)58-39-48-17-11-21-56-60(48)61-54(58)20-12-22-57(61)63-62(56)55-36-35-53(40-59(55)66(63)50-18-5-4-6-19-50)65(51-33-29-41-13-7-9-15-46(41)37-51)52-34-30-42-14-8-10-16-47(42)38-52;1-58(2,3)40-28-26-38(27-29-40)49-33-39-32-46(61-44-22-14-8-15-23-44)36-51-54(39)55-50(49)35-47(62-45-24-16-9-17-25-45)37-52(55)57-56(51)48-31-30-43(34-53(48)59(57,4)5)60(41-18-10-6-11-19-41)42-20-12-7-13-21-42;1-34-20-22-35(23-21-34)24-25-36-26-28-37(29-27-36)46-32-38-12-10-18-44-48(38)49-42(46)17-11-19-45(49)51-50(44)43-31-30-41(33-47(43)52(51,2)3)53(39-13-6-4-7-14-39)40-15-8-5-9-16-40;1-50(2,3)34-22-20-32(21-23-34)41-27-33-26-38(53(4,5)6)30-43-46(33)47-42(41)29-39(54(7,8)9)31-44(47)49-48(43)40-25-24-37(28-45(40)52-49)51(35-16-12-10-13-17-35)36-18-14-11-15-19-36/h4-40H,1-3H3;6-37H,1-5H3;4-33H,1-3H3;10-31H,1-9H3/b;;25-24+
• InChIKey: ZRGVNWPIXFAMBL-LUBNCNHVSA-N
• XLogP: 63.51
• TPSA: 49.49 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 26
• Heavy Atoms: 235
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3059.13
LogP ≤ 5	63.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylphenyl)-20,20-dimethyl-3,10-diphenoxy-N,N-diphenylhexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8,10,12(23),13(21),14(19),15,17-undecaen-17-amine;6-(4-tert-butylphenyl)-N,N-diphenyl-3,10-bis(trimethylsilyl)-20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8,10,12(23),13(21),14(19),15,17-undecaen-17-amine;6-[4-(4-tert-butylphenyl)phenyl]-N,N-dinaphthalen-2-yl-20-phenyl-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,17,22-undecaen-17-amine;20,20-dimethyl-6-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-N,N-diphenylhexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,17,22-undecaen-17-amine?

The IUPAC name of 6-(4-tert-butylphenyl)-20,20-dimethyl-3,10-diphenoxy-N,N-diphenylhexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8,10,12(23),13(21),14(19),15,17-undecaen-17-amine;6-(4-tert-butylphenyl)-N,N-diphenyl-3,10-bis(trimethylsilyl)-20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8,10,12(23),13(21),14(19),15,17-undecaen-17-amine;6-[4-(4-tert-butylphenyl)phenyl]-N,N-dinaphthalen-2-yl-20-phenyl-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,17,22-undecaen-17-amine;20,20-dimethyl-6-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-N,N-diphenylhexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,17,22-undecaen-17-amine (CID 162198581) is 6-(4-tert-butylphenyl)-20,20-dimethyl-3,10-diphenoxy-N,N-diphenylhexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8,10,12(23),13(21),14(19),15,17-undecaen-17-amine;6-(4-tert-butylphenyl)-N,N-diphenyl-3,10-bis(trimethylsilyl)-20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8,10,12(23),13(21),14(19),15,17-undecaen-17-amine;6-[4-(4-tert-butylphenyl)phenyl]-N,N-dinaphthalen-2-yl-20-phenyl-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,17,22-undecaen-17-amine;20,20-dimethyl-6-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-N,N-diphenylhexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,17,22-undecaen-17-amine.

What is the SMILES notation for 6-(4-tert-butylphenyl)-20,20-dimethyl-3,10-diphenoxy-N,N-diphenylhexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8,10,12(23),13(21),14(19),15,17-undecaen-17-amine;6-(4-tert-butylphenyl)-N,N-diphenyl-3,10-bis(trimethylsilyl)-20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8,10,12(23),13(21),14(19),15,17-undecaen-17-amine;6-[4-(4-tert-butylphenyl)phenyl]-N,N-dinaphthalen-2-yl-20-phenyl-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,17,22-undecaen-17-amine;20,20-dimethyl-6-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-N,N-diphenylhexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,17,22-undecaen-17-amine?

The canonical SMILES for 6-(4-tert-butylphenyl)-20,20-dimethyl-3,10-diphenoxy-N,N-diphenylhexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8,10,12(23),13(21),14(19),15,17-undecaen-17-amine;6-(4-tert-butylphenyl)-N,N-diphenyl-3,10-bis(trimethylsilyl)-20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8,10,12(23),13(21),14(19),15,17-undecaen-17-amine;6-[4-(4-tert-butylphenyl)phenyl]-N,N-dinaphthalen-2-yl-20-phenyl-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,17,22-undecaen-17-amine;20,20-dimethyl-6-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-N,N-diphenylhexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,17,22-undecaen-17-amine is CC(C)(C)c1ccc(-c2cc3cc(Oc4ccccc4)cc4c5c(c6cc(Oc7ccccc7)cc2c6c34)C(C)(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-5)cc1.CC(C)(C)c1ccc(-c2cc3cc([Si](C)(C)C)cc4c5c6ccc(N(c7ccccc7)c7ccccc7)cc6oc5c5cc([Si](C)(C)C)cc2c5c34)cc1.CC(C)(C)c1ccc(-c2ccc(-c3cc4cccc5c4c4c3cccc4c3c5c4ccc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)cc4n3-c3ccccc3)cc2)cc1.Cc1ccc(/C=C/c2ccc(-c3cc4cccc5c6c(c7cccc3c7c45)C(C)(C)c3cc(N(c4ccccc4)c4ccccc4)ccc3-6)cc2)cc1.

What is the InChIKey of 6-(4-tert-butylphenyl)-20,20-dimethyl-3,10-diphenoxy-N,N-diphenylhexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8,10,12(23),13(21),14(19),15,17-undecaen-17-amine;6-(4-tert-butylphenyl)-N,N-diphenyl-3,10-bis(trimethylsilyl)-20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8,10,12(23),13(21),14(19),15,17-undecaen-17-amine;6-[4-(4-tert-butylphenyl)phenyl]-N,N-dinaphthalen-2-yl-20-phenyl-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,17,22-undecaen-17-amine;20,20-dimethyl-6-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-N,N-diphenylhexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,17,22-undecaen-17-amine?

The InChIKey is ZRGVNWPIXFAMBL-LUBNCNHVSA-N. The full InChI is InChI=1S/C64H46N2.C59H47NO2.C52H39N.C50H49NOSi2/c1-64(2,3)49-31-27-44(28-32-49)43-23-25-45(26-24-43)58-39-48-17-11-21-56-60(48)61-54(58)20-12-22-57(61)63-62(56)55-36-35-53(40-59(55)66(63)50-18-5-4-6-19-50)65(51-33-29-41-13-7-9-15-46(41)37-51)52-34-30-42-14-8-10-16-47(42)38-52;1-58(2,3)40-28-26-38(27-29-40)49-33-39-32-46(61-44-22-14-8-15-23-44)36-51-54(39)55-50(49)35-47(62-45-24-16-9-17-25-45)37-52(55)57-56(51)48-31-30-43(34-53(48)59(57,4)5)60(41-18-10-6-11-19-41)42-20-12-7-13-21-42;1-34-20-22-35(23-21-34)24-25-36-26-28-37(29-27-36)46-32-38-12-10-18-44-48(38)49-42(46)17-11-19-45(49)51-50(44)43-31-30-41(33-47(43)52(51,2)3)53(39-13-6-4-7-14-39)40-15-8-5-9-16-40;1-50(2,3)34-22-20-32(21-23-34)41-27-33-26-38(53(4,5)6)30-43-46(33)47-42(41)29-39(54(7,8)9)31-44(47)49-48(43)40-25-24-37(28-45(40)52-49)51(35-16-12-10-13-17-35)36-18-14-11-15-19-36/h4-40H,1-3H3;6-37H,1-5H3;4-33H,1-3H3;10-31H,1-9H3/b;;25-24+;.

What are the key properties of 6-(4-tert-butylphenyl)-20,20-dimethyl-3,10-diphenoxy-N,N-diphenylhexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8,10,12(23),13(21),14(19),15,17-undecaen-17-amine;6-(4-tert-butylphenyl)-N,N-diphenyl-3,10-bis(trimethylsilyl)-20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8,10,12(23),13(21),14(19),15,17-undecaen-17-amine;6-[4-(4-tert-butylphenyl)phenyl]-N,N-dinaphthalen-2-yl-20-phenyl-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,17,22-undecaen-17-amine;20,20-dimethyl-6-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-N,N-diphenylhexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,17,22-undecaen-17-amine?

6-(4-tert-butylphenyl)-20,20-dimethyl-3,10-diphenoxy-N,N-diphenylhexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8,10,12(23),13(21),14(19),15,17-undecaen-17-amine;6-(4-tert-butylphenyl)-N,N-diphenyl-3,10-bis(trimethylsilyl)-20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8,10,12(23),13(21),14(19),15,17-undecaen-17-amine;6-[4-(4-tert-butylphenyl)phenyl]-N,N-dinaphthalen-2-yl-20-phenyl-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,17,22-undecaen-17-amine;20,20-dimethyl-6-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-N,N-diphenylhexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,17,22-undecaen-17-amine has a molecular weight of 3059.13 g/mol, XLogP of 63.51, 26 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-tert-butylphenyl)-20,20-dimethyl-3,10-diphenoxy-N,N-diphenylhexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8,10,12(23),13(21),14(19),15,17-undecaen-17-amine;6-(4-tert-butylphenyl)-N,N-diphenyl-3,10-bis(trimethylsilyl)-20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8,10,12(23),13(21),14(19),15,17-undecaen-17-amine;6-[4-(4-tert-butylphenyl)phenyl]-N,N-dinaphthalen-2-yl-20-phenyl-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,17,22-undecaen-17-amine;20,20-dimethyl-6-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-N,N-diphenylhexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,17,22-undecaen-17-amine is sourced from PubChem (CID 162198581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).