2-[3,6-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-3-[3-[2-[3,6-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-6-tert-butyl-4-(3-fluorophenyl)-3-hydroxyphenoxy]propoxy]-4-tert-butyl-6-(3-fluorophenyl)phenol

C91H116F2N2O4 — CID 142714849

About 2-[3,6-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-3-[3-[2-[3,6-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-6-tert-butyl-4-(3-fluorophenyl)-3-hydroxyphenoxy]propoxy]-4-tert-butyl-6-(3-fluorophenyl)phenol

2-[3,6-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-3-[3-[2-[3,6-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-6-tert-butyl-4-(3-fluorophenyl)-3-hydroxyphenoxy]propoxy]-4-tert-butyl-6-(3-fluorophenyl)phenol (PubChem CID 142714849) has the molecular formula C91H116F2N2O4 and a molecular weight of 1339.93 g/mol. Its IUPAC name is 2-[3,6-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-3-[3-[2-[3,6-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-6-tert-butyl-4-(3-fluorophenyl)-3-hydroxyphenoxy]propoxy]-4-tert-butyl-6-(3-fluorophenyl)phenol.

Molecular Properties

• Compound Name: 2-[3,6-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-3-[3-[2-[3,6-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-6-tert-butyl-4-(3-fluorophenyl)-3-hydroxyphenoxy]propoxy]-4-tert-butyl-6-(3-fluorophenyl)phenol
• PubChem CID: 142714849
• Molecular Formula: C91H116F2N2O4
• Molecular Weight: 1339.93 g/mol
• Exact Mass: 1338.89
• IUPAC Name: 2-[3,6-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-3-[3-[2-[3,6-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-6-tert-butyl-4-(3-fluorophenyl)-3-hydroxyphenoxy]propoxy]-4-tert-butyl-6-(3-fluorophenyl)phenol
• SMILES: CC(C)(C)CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)CC(C)(C)C)ccc1n2-c1c(O)c(-c2cccc(F)c2)cc(C(C)(C)C)c1OCCCOc1c(C(C)(C)C)cc(-c2cccc(F)c2)c(O)c1-n1c2ccc(C(C)(C)CC(C)(C)C)cc2c2cc(C(C)(C)CC(C)(C)C)ccc21
• InChI: InChI=1S/C91H116F2N2O4/c1-82(2,3)52-88(19,20)58-34-38-72-66(46-58)67-47-59(89(21,22)53-83(4,5)6)35-39-73(67)94(72)76-78(96)64(56-30-27-32-62(92)44-56)50-70(86(13,14)15)80(76)98-42-29-43-99-81-71(87(16,17)18)51-65(57-31-28-33-63(93)45-57)79(97)77(81)95-74-40-36-60(90(23,24)54-84(7,8)9)48-68(74)69-49-61(37-41-75(69)95)91(25,26)55-85(10,11)12/h27-28,30-41,44-51,96-97H,29,42-43,52-55H2,1-26H3
• InChIKey: DGUHMRHMLIENKJ-UHFFFAOYSA-N
• XLogP: 26.20
• TPSA: 68.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 18
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1339.93
LogP ≤ 5	26.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3,6-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-3-[3-[2-[3,6-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-6-tert-butyl-4-(3-fluorophenyl)-3-hydroxyphenoxy]propoxy]-4-tert-butyl-6-(3-fluorophenyl)phenol?

The IUPAC name of 2-[3,6-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-3-[3-[2-[3,6-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-6-tert-butyl-4-(3-fluorophenyl)-3-hydroxyphenoxy]propoxy]-4-tert-butyl-6-(3-fluorophenyl)phenol (CID 142714849) is 2-[3,6-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-3-[3-[2-[3,6-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-6-tert-butyl-4-(3-fluorophenyl)-3-hydroxyphenoxy]propoxy]-4-tert-butyl-6-(3-fluorophenyl)phenol.

What is the SMILES notation for 2-[3,6-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-3-[3-[2-[3,6-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-6-tert-butyl-4-(3-fluorophenyl)-3-hydroxyphenoxy]propoxy]-4-tert-butyl-6-(3-fluorophenyl)phenol?

The canonical SMILES for 2-[3,6-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-3-[3-[2-[3,6-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-6-tert-butyl-4-(3-fluorophenyl)-3-hydroxyphenoxy]propoxy]-4-tert-butyl-6-(3-fluorophenyl)phenol is CC(C)(C)CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)CC(C)(C)C)ccc1n2-c1c(O)c(-c2cccc(F)c2)cc(C(C)(C)C)c1OCCCOc1c(C(C)(C)C)cc(-c2cccc(F)c2)c(O)c1-n1c2ccc(C(C)(C)CC(C)(C)C)cc2c2cc(C(C)(C)CC(C)(C)C)ccc21.

What is the InChIKey of 2-[3,6-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-3-[3-[2-[3,6-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-6-tert-butyl-4-(3-fluorophenyl)-3-hydroxyphenoxy]propoxy]-4-tert-butyl-6-(3-fluorophenyl)phenol?

The InChIKey is DGUHMRHMLIENKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C91H116F2N2O4/c1-82(2,3)52-88(19,20)58-34-38-72-66(46-58)67-47-59(89(21,22)53-83(4,5)6)35-39-73(67)94(72)76-78(96)64(56-30-27-32-62(92)44-56)50-70(86(13,14)15)80(76)98-42-29-43-99-81-71(87(16,17)18)51-65(57-31-28-33-63(93)45-57)79(97)77(81)95-74-40-36-60(90(23,24)54-84(7,8)9)48-68(74)69-49-61(37-41-75(69)95)91(25,26)55-85(10,11)12/h27-28,30-41,44-51,96-97H,29,42-43,52-55H2,1-26H3.

What are the key properties of 2-[3,6-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-3-[3-[2-[3,6-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-6-tert-butyl-4-(3-fluorophenyl)-3-hydroxyphenoxy]propoxy]-4-tert-butyl-6-(3-fluorophenyl)phenol?

2-[3,6-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-3-[3-[2-[3,6-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-6-tert-butyl-4-(3-fluorophenyl)-3-hydroxyphenoxy]propoxy]-4-tert-butyl-6-(3-fluorophenyl)phenol has a molecular weight of 1339.93 g/mol, XLogP of 26.20, 18 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,6-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-3-[3-[2-[3,6-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-6-tert-butyl-4-(3-fluorophenyl)-3-hydroxyphenoxy]propoxy]-4-tert-butyl-6-(3-fluorophenyl)phenol is sourced from PubChem (CID 142714849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).