4-tert-butyl-2-(3-butylcarbazol-9-yl)-6-[2-[3-[2-[3-(3-butylcarbazol-9-yl)-2-hydroxy-5-(2-methylheptan-2-yl)phenyl]-4-fluorophenoxy]-2,2-difluoropropoxy]-5-fluorophenyl]phenol

C71H74F4N2O4 — CID 170148460

About 4-tert-butyl-2-(3-butylcarbazol-9-yl)-6-[2-[3-[2-[3-(3-butylcarbazol-9-yl)-2-hydroxy-5-(2-methylheptan-2-yl)phenyl]-4-fluorophenoxy]-2,2-difluoropropoxy]-5-fluorophenyl]phenol

4-tert-butyl-2-(3-butylcarbazol-9-yl)-6-[2-[3-[2-[3-(3-butylcarbazol-9-yl)-2-hydroxy-5-(2-methylheptan-2-yl)phenyl]-4-fluorophenoxy]-2,2-difluoropropoxy]-5-fluorophenyl]phenol (PubChem CID 170148460) has the molecular formula C71H74F4N2O4 and a molecular weight of 1095.37 g/mol. Its IUPAC name is 4-tert-butyl-2-(3-butylcarbazol-9-yl)-6-[2-[3-[2-[3-(3-butylcarbazol-9-yl)-2-hydroxy-5-(2-methylheptan-2-yl)phenyl]-4-fluorophenoxy]-2,2-difluoropropoxy]-5-fluorophenyl]phenol.

Molecular Properties

• Compound Name: 4-tert-butyl-2-(3-butylcarbazol-9-yl)-6-[2-[3-[2-[3-(3-butylcarbazol-9-yl)-2-hydroxy-5-(2-methylheptan-2-yl)phenyl]-4-fluorophenoxy]-2,2-difluoropropoxy]-5-fluorophenyl]phenol
• PubChem CID: 170148460
• Molecular Formula: C71H74F4N2O4
• Molecular Weight: 1095.37 g/mol
• Exact Mass: 1094.56
• IUPAC Name: 4-tert-butyl-2-(3-butylcarbazol-9-yl)-6-[2-[3-[2-[3-(3-butylcarbazol-9-yl)-2-hydroxy-5-(2-methylheptan-2-yl)phenyl]-4-fluorophenoxy]-2,2-difluoropropoxy]-5-fluorophenyl]phenol
• SMILES: CCCCCC(C)(C)c1cc(-c2cc(F)ccc2OCC(F)(F)COc2ccc(F)cc2-c2cc(C(C)(C)C)cc(-n3c4ccccc4c4cc(CCCC)ccc43)c2O)c(O)c(-n2c3ccccc3c3cc(CCCC)ccc32)c1
• InChI: InChI=1S/C71H74F4N2O4/c1-9-12-19-34-70(7,8)48-38-58(68(79)64(40-48)77-60-25-18-16-23-52(60)54-36-46(21-14-11-3)27-31-62(54)77)56-42-50(73)29-33-66(56)81-44-71(74,75)43-80-65-32-28-49(72)41-55(65)57-37-47(69(4,5)6)39-63(67(57)78)76-59-24-17-15-22-51(59)53-35-45(20-13-10-2)26-30-61(53)76/h15-18,22-33,35-42,78-79H,9-14,19-21,34,43-44H2,1-8H3
• InChIKey: JSNLNXNDWFTQJJ-UHFFFAOYSA-N
• XLogP: 19.84
• TPSA: 68.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 21
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1095.37
LogP ≤ 5	19.84
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 4-tert-butyl-2-(3-butylcarbazol-9-yl)-6-[2-[3-[2-[3-(3-butylcarbazol-9-yl)-2-hydroxy-5-(2-methylheptan-2-yl)phenyl]-4-fluorophenoxy]-2,2-difluoropropoxy]-5-fluorophenyl]phenol?

The IUPAC name of 4-tert-butyl-2-(3-butylcarbazol-9-yl)-6-[2-[3-[2-[3-(3-butylcarbazol-9-yl)-2-hydroxy-5-(2-methylheptan-2-yl)phenyl]-4-fluorophenoxy]-2,2-difluoropropoxy]-5-fluorophenyl]phenol (CID 170148460) is 4-tert-butyl-2-(3-butylcarbazol-9-yl)-6-[2-[3-[2-[3-(3-butylcarbazol-9-yl)-2-hydroxy-5-(2-methylheptan-2-yl)phenyl]-4-fluorophenoxy]-2,2-difluoropropoxy]-5-fluorophenyl]phenol.

What is the SMILES notation for 4-tert-butyl-2-(3-butylcarbazol-9-yl)-6-[2-[3-[2-[3-(3-butylcarbazol-9-yl)-2-hydroxy-5-(2-methylheptan-2-yl)phenyl]-4-fluorophenoxy]-2,2-difluoropropoxy]-5-fluorophenyl]phenol?

The canonical SMILES for 4-tert-butyl-2-(3-butylcarbazol-9-yl)-6-[2-[3-[2-[3-(3-butylcarbazol-9-yl)-2-hydroxy-5-(2-methylheptan-2-yl)phenyl]-4-fluorophenoxy]-2,2-difluoropropoxy]-5-fluorophenyl]phenol is CCCCCC(C)(C)c1cc(-c2cc(F)ccc2OCC(F)(F)COc2ccc(F)cc2-c2cc(C(C)(C)C)cc(-n3c4ccccc4c4cc(CCCC)ccc43)c2O)c(O)c(-n2c3ccccc3c3cc(CCCC)ccc32)c1.

What is the InChIKey of 4-tert-butyl-2-(3-butylcarbazol-9-yl)-6-[2-[3-[2-[3-(3-butylcarbazol-9-yl)-2-hydroxy-5-(2-methylheptan-2-yl)phenyl]-4-fluorophenoxy]-2,2-difluoropropoxy]-5-fluorophenyl]phenol?

The InChIKey is JSNLNXNDWFTQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H74F4N2O4/c1-9-12-19-34-70(7,8)48-38-58(68(79)64(40-48)77-60-25-18-16-23-52(60)54-36-46(21-14-11-3)27-31-62(54)77)56-42-50(73)29-33-66(56)81-44-71(74,75)43-80-65-32-28-49(72)41-55(65)57-37-47(69(4,5)6)39-63(67(57)78)76-59-24-17-15-22-51(59)53-35-45(20-13-10-2)26-30-61(53)76/h15-18,22-33,35-42,78-79H,9-14,19-21,34,43-44H2,1-8H3.

What are the key properties of 4-tert-butyl-2-(3-butylcarbazol-9-yl)-6-[2-[3-[2-[3-(3-butylcarbazol-9-yl)-2-hydroxy-5-(2-methylheptan-2-yl)phenyl]-4-fluorophenoxy]-2,2-difluoropropoxy]-5-fluorophenyl]phenol?

4-tert-butyl-2-(3-butylcarbazol-9-yl)-6-[2-[3-[2-[3-(3-butylcarbazol-9-yl)-2-hydroxy-5-(2-methylheptan-2-yl)phenyl]-4-fluorophenoxy]-2,2-difluoropropoxy]-5-fluorophenyl]phenol has a molecular weight of 1095.37 g/mol, XLogP of 19.84, 21 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-(3-butylcarbazol-9-yl)-6-[2-[3-[2-[3-(3-butylcarbazol-9-yl)-2-hydroxy-5-(2-methylheptan-2-yl)phenyl]-4-fluorophenoxy]-2,2-difluoropropoxy]-5-fluorophenyl]phenol is sourced from PubChem (CID 170148460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).