2-[5-chloro-2-[3-[4-chloro-2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]propoxy]phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)-4-methylphenol

C69H72Cl2N2O4 — CID 166033725

About 2-[5-chloro-2-[3-[4-chloro-2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]propoxy]phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)-4-methylphenol

2-[5-chloro-2-[3-[4-chloro-2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]propoxy]phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)-4-methylphenol (PubChem CID 166033725) has the molecular formula C69H72Cl2N2O4 and a molecular weight of 1064.25 g/mol. Its IUPAC name is 2-[5-chloro-2-[3-[4-chloro-2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]propoxy]phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)-4-methylphenol.

Molecular Properties

• Compound Name: 2-[5-chloro-2-[3-[4-chloro-2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]propoxy]phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)-4-methylphenol
• PubChem CID: 166033725
• Molecular Formula: C69H72Cl2N2O4
• Molecular Weight: 1064.25 g/mol
• Exact Mass: 1062.49
• IUPAC Name: 2-[5-chloro-2-[3-[4-chloro-2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]propoxy]phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)-4-methylphenol
• SMILES: Cc1cc(-c2cc(Cl)ccc2OCCCOc2ccc(Cl)cc2-c2cc(C)cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)c2O)c(O)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1
• InChI: InChI=1S/C69H72Cl2N2O4/c1-40-30-54(64(74)60(32-40)72-56-22-16-42(66(3,4)5)34-48(56)49-35-43(67(6,7)8)17-23-57(49)72)52-38-46(70)20-26-62(52)76-28-15-29-77-63-27-21-47(71)39-53(63)55-31-41(2)33-61(65(55)75)73-58-24-18-44(68(9,10)11)36-50(58)51-37-45(69(12,13)14)19-25-59(51)73/h16-27,30-39,74-75H,15,28-29H2,1-14H3
• InChIKey: JVWIBUCVVSVSCJ-UHFFFAOYSA-N
• XLogP: 19.59
• TPSA: 68.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1064.25
LogP ≤ 5	19.59
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-[5-chloro-2-[3-[4-chloro-2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]propoxy]phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)-4-methylphenol?

The IUPAC name of 2-[5-chloro-2-[3-[4-chloro-2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]propoxy]phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)-4-methylphenol (CID 166033725) is 2-[5-chloro-2-[3-[4-chloro-2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]propoxy]phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)-4-methylphenol.

What is the SMILES notation for 2-[5-chloro-2-[3-[4-chloro-2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]propoxy]phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)-4-methylphenol?

The canonical SMILES for 2-[5-chloro-2-[3-[4-chloro-2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]propoxy]phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)-4-methylphenol is Cc1cc(-c2cc(Cl)ccc2OCCCOc2ccc(Cl)cc2-c2cc(C)cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)c2O)c(O)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1.

What is the InChIKey of 2-[5-chloro-2-[3-[4-chloro-2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]propoxy]phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)-4-methylphenol?

The InChIKey is JVWIBUCVVSVSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H72Cl2N2O4/c1-40-30-54(64(74)60(32-40)72-56-22-16-42(66(3,4)5)34-48(56)49-35-43(67(6,7)8)17-23-57(49)72)52-38-46(70)20-26-62(52)76-28-15-29-77-63-27-21-47(71)39-53(63)55-31-41(2)33-61(65(55)75)73-58-24-18-44(68(9,10)11)36-50(58)51-37-45(69(12,13)14)19-25-59(51)73/h16-27,30-39,74-75H,15,28-29H2,1-14H3.

What are the key properties of 2-[5-chloro-2-[3-[4-chloro-2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]propoxy]phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)-4-methylphenol?

2-[5-chloro-2-[3-[4-chloro-2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]propoxy]phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)-4-methylphenol has a molecular weight of 1064.25 g/mol, XLogP of 19.59, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-chloro-2-[3-[4-chloro-2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]propoxy]phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)-4-methylphenol is sourced from PubChem (CID 166033725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).