24-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-5,5,9,9,16,16,20,20,27,35,35,42,42-tridecamethyl-30-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-24,30-diazadodecacyclo[23.22.1.02,23.04,21.06,19.08,17.010,15.029,48.031,47.032,45.034,43.036,41]octatetraconta-2,4(21),6(19),7,10,12,14,17,22,25,27,29(48),31(47),32,34(43),36,38,40,44-nonadecaene

C93H102N2 — CID 168806295

About 24-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-5,5,9,9,16,16,20,20,27,35,35,42,42-tridecamethyl-30-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-24,30-diazadodecacyclo[23.22.1.02,23.04,21.06,19.08,17.010,15.029,48.031,47.032,45.034,43.036,41]octatetraconta-2,4(21),6(19),7,10,12,14,17,22,25,27,29(48),31(47),32,34(43),36,38,40,44-nonadecaene

24-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-5,5,9,9,16,16,20,20,27,35,35,42,42-tridecamethyl-30-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-24,30-diazadodecacyclo[23.22.1.02,23.04,21.06,19.08,17.010,15.029,48.031,47.032,45.034,43.036,41]octatetraconta-2,4(21),6(19),7,10,12,14,17,22,25,27,29(48),31(47),32,34(43),36,38,40,44-nonadecaene (PubChem CID 168806295) has the molecular formula C93H102N2 and a molecular weight of 1247.85 g/mol. Its IUPAC name is 24-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-5,5,9,9,16,16,20,20,27,35,35,42,42-tridecamethyl-30-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-24,30-diazadodecacyclo[23.22.1.02,23.04,21.06,19.08,17.010,15.029,48.031,47.032,45.034,43.036,41]octatetraconta-2,4(21),6(19),7,10,12,14,17,22,25,27,29(48),31(47),32,34(43),36,38,40,44-nonadecaene.

Molecular Properties

• Compound Name: 24-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-5,5,9,9,16,16,20,20,27,35,35,42,42-tridecamethyl-30-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-24,30-diazadodecacyclo[23.22.1.02,23.04,21.06,19.08,17.010,15.029,48.031,47.032,45.034,43.036,41]octatetraconta-2,4(21),6(19),7,10,12,14,17,22,25,27,29(48),31(47),32,34(43),36,38,40,44-nonadecaene
• PubChem CID: 168806295
• Molecular Formula: C93H102N2
• Molecular Weight: 1247.85 g/mol
• Exact Mass: 1246.80
• IUPAC Name: 24-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-5,5,9,9,16,16,20,20,27,35,35,42,42-tridecamethyl-30-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-24,30-diazadodecacyclo[23.22.1.02,23.04,21.06,19.08,17.010,15.029,48.031,47.032,45.034,43.036,41]octatetraconta-2,4(21),6(19),7,10,12,14,17,22,25,27,29(48),31(47),32,34(43),36,38,40,44-nonadecaene
• SMILES: Cc1cc2c3c(c1)N(c1ccc(C(C)(C)C)cc1-c1ccc(C(C)(C)C)cc1)c1cc4c(cc1C3C1=C(c3cc5c(cc3C1)C(C)(C)c1ccccc1C5(C)C)N2c1ccc2c(c1)C(C)(C)CCC2(C)C)C(C)(C)c1cc2c(cc1C4(C)C)C(C)(C)c1ccccc1C2(C)C
• InChI: InChI=1S/C93H102N2/c1-53-42-79-82-80(43-53)95(77-39-36-57(85(5,6)7)46-59(77)54-32-34-56(35-33-54)84(2,3)4)78-52-76-71(92(20,21)74-50-72-73(51-75(74)93(76,22)23)91(18,19)67-31-27-26-30-66(67)90(72,16)17)49-61(78)81(82)62-44-55-45-69-70(89(14,15)65-29-25-24-28-64(65)88(69,12)13)48-60(55)83(62)94(79)58-37-38-63-68(47-58)87(10,11)41-40-86(63,8)9/h24-39,42-43,45-52,81H,40-41,44H2,1-23H3
• InChIKey: NHJNAIBKRLCGHC-UHFFFAOYSA-N
• XLogP: 24.54
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1247.85
LogP ≤ 5	24.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 24-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-5,5,9,9,16,16,20,20,27,35,35,42,42-tridecamethyl-30-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-24,30-diazadodecacyclo[23.22.1.02,23.04,21.06,19.08,17.010,15.029,48.031,47.032,45.034,43.036,41]octatetraconta-2,4(21),6(19),7,10,12,14,17,22,25,27,29(48),31(47),32,34(43),36,38,40,44-nonadecaene?

The IUPAC name of 24-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-5,5,9,9,16,16,20,20,27,35,35,42,42-tridecamethyl-30-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-24,30-diazadodecacyclo[23.22.1.02,23.04,21.06,19.08,17.010,15.029,48.031,47.032,45.034,43.036,41]octatetraconta-2,4(21),6(19),7,10,12,14,17,22,25,27,29(48),31(47),32,34(43),36,38,40,44-nonadecaene (CID 168806295) is 24-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-5,5,9,9,16,16,20,20,27,35,35,42,42-tridecamethyl-30-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-24,30-diazadodecacyclo[23.22.1.02,23.04,21.06,19.08,17.010,15.029,48.031,47.032,45.034,43.036,41]octatetraconta-2,4(21),6(19),7,10,12,14,17,22,25,27,29(48),31(47),32,34(43),36,38,40,44-nonadecaene.

What is the SMILES notation for 24-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-5,5,9,9,16,16,20,20,27,35,35,42,42-tridecamethyl-30-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-24,30-diazadodecacyclo[23.22.1.02,23.04,21.06,19.08,17.010,15.029,48.031,47.032,45.034,43.036,41]octatetraconta-2,4(21),6(19),7,10,12,14,17,22,25,27,29(48),31(47),32,34(43),36,38,40,44-nonadecaene?

The canonical SMILES for 24-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-5,5,9,9,16,16,20,20,27,35,35,42,42-tridecamethyl-30-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-24,30-diazadodecacyclo[23.22.1.02,23.04,21.06,19.08,17.010,15.029,48.031,47.032,45.034,43.036,41]octatetraconta-2,4(21),6(19),7,10,12,14,17,22,25,27,29(48),31(47),32,34(43),36,38,40,44-nonadecaene is Cc1cc2c3c(c1)N(c1ccc(C(C)(C)C)cc1-c1ccc(C(C)(C)C)cc1)c1cc4c(cc1C3C1=C(c3cc5c(cc3C1)C(C)(C)c1ccccc1C5(C)C)N2c1ccc2c(c1)C(C)(C)CCC2(C)C)C(C)(C)c1cc2c(cc1C4(C)C)C(C)(C)c1ccccc1C2(C)C.

What is the InChIKey of 24-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-5,5,9,9,16,16,20,20,27,35,35,42,42-tridecamethyl-30-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-24,30-diazadodecacyclo[23.22.1.02,23.04,21.06,19.08,17.010,15.029,48.031,47.032,45.034,43.036,41]octatetraconta-2,4(21),6(19),7,10,12,14,17,22,25,27,29(48),31(47),32,34(43),36,38,40,44-nonadecaene?

The InChIKey is NHJNAIBKRLCGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C93H102N2/c1-53-42-79-82-80(43-53)95(77-39-36-57(85(5,6)7)46-59(77)54-32-34-56(35-33-54)84(2,3)4)78-52-76-71(92(20,21)74-50-72-73(51-75(74)93(76,22)23)91(18,19)67-31-27-26-30-66(67)90(72,16)17)49-61(78)81(82)62-44-55-45-69-70(89(14,15)65-29-25-24-28-64(65)88(69,12)13)48-60(55)83(62)94(79)58-37-38-63-68(47-58)87(10,11)41-40-86(63,8)9/h24-39,42-43,45-52,81H,40-41,44H2,1-23H3.

What are the key properties of 24-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-5,5,9,9,16,16,20,20,27,35,35,42,42-tridecamethyl-30-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-24,30-diazadodecacyclo[23.22.1.02,23.04,21.06,19.08,17.010,15.029,48.031,47.032,45.034,43.036,41]octatetraconta-2,4(21),6(19),7,10,12,14,17,22,25,27,29(48),31(47),32,34(43),36,38,40,44-nonadecaene?

24-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-5,5,9,9,16,16,20,20,27,35,35,42,42-tridecamethyl-30-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-24,30-diazadodecacyclo[23.22.1.02,23.04,21.06,19.08,17.010,15.029,48.031,47.032,45.034,43.036,41]octatetraconta-2,4(21),6(19),7,10,12,14,17,22,25,27,29(48),31(47),32,34(43),36,38,40,44-nonadecaene has a molecular weight of 1247.85 g/mol, XLogP of 24.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 24-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-5,5,9,9,16,16,20,20,27,35,35,42,42-tridecamethyl-30-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-24,30-diazadodecacyclo[23.22.1.02,23.04,21.06,19.08,17.010,15.029,48.031,47.032,45.034,43.036,41]octatetraconta-2,4(21),6(19),7,10,12,14,17,22,25,27,29(48),31(47),32,34(43),36,38,40,44-nonadecaene is sourced from PubChem (CID 168806295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).