24-[4-(2,4-dimethylpent-4-en-2-yl)phenoxy]-20-[4-[4-(2,4-dimethylpent-4-en-2-yl)-N-[4-(2,4,4-trimethylpentan-2-yl)phenyl]anilino]phenyl]-11,18,33-tris[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-7-oxanonacyclo[14.12.2.22,5.117,21.03,12.04,9.013,29.026,30.025,31]tritriaconta-1(29),2(33),3,5(32),9,11,13,15,17,19,21(31),22,24,26(30),27-pentadecaene-6,8-dione

C120H131NO7 — CID 89361095

About 24-[4-(2,4-dimethylpent-4-en-2-yl)phenoxy]-20-[4-[4-(2,4-dimethylpent-4-en-2-yl)-N-[4-(2,4,4-trimethylpentan-2-yl)phenyl]anilino]phenyl]-11,18,33-tris[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-7-oxanonacyclo[14.12.2.22,5.117,21.03,12.04,9.013,29.026,30.025,31]tritriaconta-1(29),2(33),3,5(32),9,11,13,15,17,19,21(31),22,24,26(30),27-pentadecaene-6,8-dione

24-[4-(2,4-dimethylpent-4-en-2-yl)phenoxy]-20-[4-[4-(2,4-dimethylpent-4-en-2-yl)-N-[4-(2,4,4-trimethylpentan-2-yl)phenyl]anilino]phenyl]-11,18,33-tris[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-7-oxanonacyclo[14.12.2.22,5.117,21.03,12.04,9.013,29.026,30.025,31]tritriaconta-1(29),2(33),3,5(32),9,11,13,15,17,19,21(31),22,24,26(30),27-pentadecaene-6,8-dione (PubChem CID 89361095) has the molecular formula C120H131NO7 and a molecular weight of 1699.37 g/mol. Its IUPAC name is 24-[4-(2,4-dimethylpent-4-en-2-yl)phenoxy]-20-[4-[4-(2,4-dimethylpent-4-en-2-yl)-N-[4-(2,4,4-trimethylpentan-2-yl)phenyl]anilino]phenyl]-11,18,33-tris[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-7-oxanonacyclo[14.12.2.22,5.117,21.03,12.04,9.013,29.026,30.025,31]tritriaconta-1(29),2(33),3,5(32),9,11,13,15,17,19,21(31),22,24,26(30),27-pentadecaene-6,8-dione.

Molecular Properties

• Compound Name: 24-[4-(2,4-dimethylpent-4-en-2-yl)phenoxy]-20-[4-[4-(2,4-dimethylpent-4-en-2-yl)-N-[4-(2,4,4-trimethylpentan-2-yl)phenyl]anilino]phenyl]-11,18,33-tris[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-7-oxanonacyclo[14.12.2.22,5.117,21.03,12.04,9.013,29.026,30.025,31]tritriaconta-1(29),2(33),3,5(32),9,11,13,15,17,19,21(31),22,24,26(30),27-pentadecaene-6,8-dione
• PubChem CID: 89361095
• Molecular Formula: C120H131NO7
• Molecular Weight: 1699.37 g/mol
• Exact Mass: 1697.99
• IUPAC Name: 24-[4-(2,4-dimethylpent-4-en-2-yl)phenoxy]-20-[4-[4-(2,4-dimethylpent-4-en-2-yl)-N-[4-(2,4,4-trimethylpentan-2-yl)phenyl]anilino]phenyl]-11,18,33-tris[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-7-oxanonacyclo[14.12.2.22,5.117,21.03,12.04,9.013,29.026,30.025,31]tritriaconta-1(29),2(33),3,5(32),9,11,13,15,17,19,21(31),22,24,26(30),27-pentadecaene-6,8-dione
• SMILES: C=C(C)CC(C)(C)c1ccc(Oc2ccc3c(-c4ccc(N(c5ccc(C(C)(C)CC(=C)C)cc5)c5ccc(C(C)(C)CC(C)(C)C)cc5)cc4)cc(Oc4ccc(C(C)(C)CC(C)(C)C)cc4)c4c5ccc6c7c(Oc8ccc(C(C)(C)CC(C)(C)C)cc8)cc8c9c(cc(Oc%10ccc(C(C)(C)CC(C)(C)C)cc%10)c(c%10ccc(c2c34)c5c%106)c97)C(=O)OC8=O)cc1
• InChI: InChI=1S/C120H131NO7/c1-72(2)66-115(17,18)75-31-45-82(46-32-75)121(83-47-33-77(34-48-83)117(21,22)68-111(5,6)7)81-43-29-74(30-44-81)93-63-97(125-85-51-37-78(38-52-85)118(23,24)69-112(8,9)10)104-90-58-60-92-101-91(59-57-89(100(90)101)103-96(62-61-88(93)107(103)104)124-84-49-35-76(36-50-84)116(19,20)67-73(3)4)105-98(126-86-53-39-79(40-54-86)119(25,26)70-113(11,12)13)64-94-102-95(110(123)128-109(94)122)65-99(106(92)108(102)105)127-87-55-41-80(42-56-87)120(27,28)71-114(14,15)16/h29-65H,1,3,66-71H2,2,4-28H3
• InChIKey: QBZGYXFSVUBQGK-UHFFFAOYSA-N
• XLogP: 35.59
• TPSA: 83.53 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 26
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1699.37
LogP ≤ 5	35.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 24-[4-(2,4-dimethylpent-4-en-2-yl)phenoxy]-20-[4-[4-(2,4-dimethylpent-4-en-2-yl)-N-[4-(2,4,4-trimethylpentan-2-yl)phenyl]anilino]phenyl]-11,18,33-tris[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-7-oxanonacyclo[14.12.2.22,5.117,21.03,12.04,9.013,29.026,30.025,31]tritriaconta-1(29),2(33),3,5(32),9,11,13,15,17,19,21(31),22,24,26(30),27-pentadecaene-6,8-dione?

The IUPAC name of 24-[4-(2,4-dimethylpent-4-en-2-yl)phenoxy]-20-[4-[4-(2,4-dimethylpent-4-en-2-yl)-N-[4-(2,4,4-trimethylpentan-2-yl)phenyl]anilino]phenyl]-11,18,33-tris[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-7-oxanonacyclo[14.12.2.22,5.117,21.03,12.04,9.013,29.026,30.025,31]tritriaconta-1(29),2(33),3,5(32),9,11,13,15,17,19,21(31),22,24,26(30),27-pentadecaene-6,8-dione (CID 89361095) is 24-[4-(2,4-dimethylpent-4-en-2-yl)phenoxy]-20-[4-[4-(2,4-dimethylpent-4-en-2-yl)-N-[4-(2,4,4-trimethylpentan-2-yl)phenyl]anilino]phenyl]-11,18,33-tris[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-7-oxanonacyclo[14.12.2.22,5.117,21.03,12.04,9.013,29.026,30.025,31]tritriaconta-1(29),2(33),3,5(32),9,11,13,15,17,19,21(31),22,24,26(30),27-pentadecaene-6,8-dione.

What is the SMILES notation for 24-[4-(2,4-dimethylpent-4-en-2-yl)phenoxy]-20-[4-[4-(2,4-dimethylpent-4-en-2-yl)-N-[4-(2,4,4-trimethylpentan-2-yl)phenyl]anilino]phenyl]-11,18,33-tris[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-7-oxanonacyclo[14.12.2.22,5.117,21.03,12.04,9.013,29.026,30.025,31]tritriaconta-1(29),2(33),3,5(32),9,11,13,15,17,19,21(31),22,24,26(30),27-pentadecaene-6,8-dione?

The canonical SMILES for 24-[4-(2,4-dimethylpent-4-en-2-yl)phenoxy]-20-[4-[4-(2,4-dimethylpent-4-en-2-yl)-N-[4-(2,4,4-trimethylpentan-2-yl)phenyl]anilino]phenyl]-11,18,33-tris[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-7-oxanonacyclo[14.12.2.22,5.117,21.03,12.04,9.013,29.026,30.025,31]tritriaconta-1(29),2(33),3,5(32),9,11,13,15,17,19,21(31),22,24,26(30),27-pentadecaene-6,8-dione is C=C(C)CC(C)(C)c1ccc(Oc2ccc3c(-c4ccc(N(c5ccc(C(C)(C)CC(=C)C)cc5)c5ccc(C(C)(C)CC(C)(C)C)cc5)cc4)cc(Oc4ccc(C(C)(C)CC(C)(C)C)cc4)c4c5ccc6c7c(Oc8ccc(C(C)(C)CC(C)(C)C)cc8)cc8c9c(cc(Oc%10ccc(C(C)(C)CC(C)(C)C)cc%10)c(c%10ccc(c2c34)c5c%106)c97)C(=O)OC8=O)cc1.

What is the InChIKey of 24-[4-(2,4-dimethylpent-4-en-2-yl)phenoxy]-20-[4-[4-(2,4-dimethylpent-4-en-2-yl)-N-[4-(2,4,4-trimethylpentan-2-yl)phenyl]anilino]phenyl]-11,18,33-tris[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-7-oxanonacyclo[14.12.2.22,5.117,21.03,12.04,9.013,29.026,30.025,31]tritriaconta-1(29),2(33),3,5(32),9,11,13,15,17,19,21(31),22,24,26(30),27-pentadecaene-6,8-dione?

The InChIKey is QBZGYXFSVUBQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C120H131NO7/c1-72(2)66-115(17,18)75-31-45-82(46-32-75)121(83-47-33-77(34-48-83)117(21,22)68-111(5,6)7)81-43-29-74(30-44-81)93-63-97(125-85-51-37-78(38-52-85)118(23,24)69-112(8,9)10)104-90-58-60-92-101-91(59-57-89(100(90)101)103-96(62-61-88(93)107(103)104)124-84-49-35-76(36-50-84)116(19,20)67-73(3)4)105-98(126-86-53-39-79(40-54-86)119(25,26)70-113(11,12)13)64-94-102-95(110(123)128-109(94)122)65-99(106(92)108(102)105)127-87-55-41-80(42-56-87)120(27,28)71-114(14,15)16/h29-65H,1,3,66-71H2,2,4-28H3.

What are the key properties of 24-[4-(2,4-dimethylpent-4-en-2-yl)phenoxy]-20-[4-[4-(2,4-dimethylpent-4-en-2-yl)-N-[4-(2,4,4-trimethylpentan-2-yl)phenyl]anilino]phenyl]-11,18,33-tris[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-7-oxanonacyclo[14.12.2.22,5.117,21.03,12.04,9.013,29.026,30.025,31]tritriaconta-1(29),2(33),3,5(32),9,11,13,15,17,19,21(31),22,24,26(30),27-pentadecaene-6,8-dione?

24-[4-(2,4-dimethylpent-4-en-2-yl)phenoxy]-20-[4-[4-(2,4-dimethylpent-4-en-2-yl)-N-[4-(2,4,4-trimethylpentan-2-yl)phenyl]anilino]phenyl]-11,18,33-tris[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-7-oxanonacyclo[14.12.2.22,5.117,21.03,12.04,9.013,29.026,30.025,31]tritriaconta-1(29),2(33),3,5(32),9,11,13,15,17,19,21(31),22,24,26(30),27-pentadecaene-6,8-dione has a molecular weight of 1699.37 g/mol, XLogP of 35.59, 26 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 24-[4-(2,4-dimethylpent-4-en-2-yl)phenoxy]-20-[4-[4-(2,4-dimethylpent-4-en-2-yl)-N-[4-(2,4,4-trimethylpentan-2-yl)phenyl]anilino]phenyl]-11,18,33-tris[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-7-oxanonacyclo[14.12.2.22,5.117,21.03,12.04,9.013,29.026,30.025,31]tritriaconta-1(29),2(33),3,5(32),9,11,13,15,17,19,21(31),22,24,26(30),27-pentadecaene-6,8-dione is sourced from PubChem (CID 89361095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).