2-[6-[3-[4-[4-carbazol-9-yl-2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol

C60H59N3O — CID 159163151

About 2-[6-[3-[4-[4-carbazol-9-yl-2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol

2-[6-[3-[4-[4-carbazol-9-yl-2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol (PubChem CID 159163151) has the molecular formula C60H59N3O and a molecular weight of 838.15 g/mol. Its IUPAC name is 2-[6-[3-[4-[4-carbazol-9-yl-2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol.

Molecular Properties

• Compound Name: 2-[6-[3-[4-[4-carbazol-9-yl-2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol
• PubChem CID: 159163151
• Molecular Formula: C60H59N3O
• Molecular Weight: 838.15 g/mol
• Exact Mass: 837.47
• IUPAC Name: 2-[6-[3-[4-[4-carbazol-9-yl-2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol
• SMILES: CC(C)c1cc(-n2c3ccccc3c3ccccc32)cc(C(C)C)c1-c1ccnc(-c2cccc(-c3cc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc(-c4ccccc4O)n3)c2)c1
• InChI: InChI=1S/C60H59N3O/c1-37(2)50-35-46(63-55-23-14-11-20-47(55)48-21-12-15-24-56(48)63)36-51(38(3)4)58(50)41-26-27-61-52(31-41)39-18-17-19-40(28-39)53-32-43(33-54(62-53)49-22-13-16-25-57(49)64)42-29-44(59(5,6)7)34-45(30-42)60(8,9)10/h11-38,64H,1-10H3
• InChIKey: UHTDOEWLADSBCW-UHFFFAOYSA-N
• XLogP: 16.46
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	838.15
LogP ≤ 5	16.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-[4-[4-carbazol-9-yl-2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol?

The IUPAC name of 2-[6-[3-[4-[4-carbazol-9-yl-2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol (CID 159163151) is 2-[6-[3-[4-[4-carbazol-9-yl-2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol.

What is the SMILES notation for 2-[6-[3-[4-[4-carbazol-9-yl-2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol?

The canonical SMILES for 2-[6-[3-[4-[4-carbazol-9-yl-2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol is CC(C)c1cc(-n2c3ccccc3c3ccccc32)cc(C(C)C)c1-c1ccnc(-c2cccc(-c3cc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc(-c4ccccc4O)n3)c2)c1.

What is the InChIKey of 2-[6-[3-[4-[4-carbazol-9-yl-2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol?

The InChIKey is UHTDOEWLADSBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H59N3O/c1-37(2)50-35-46(63-55-23-14-11-20-47(55)48-21-12-15-24-56(48)63)36-51(38(3)4)58(50)41-26-27-61-52(31-41)39-18-17-19-40(28-39)53-32-43(33-54(62-53)49-22-13-16-25-57(49)64)42-29-44(59(5,6)7)34-45(30-42)60(8,9)10/h11-38,64H,1-10H3.

What are the key properties of 2-[6-[3-[4-[4-carbazol-9-yl-2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol?

2-[6-[3-[4-[4-carbazol-9-yl-2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol has a molecular weight of 838.15 g/mol, XLogP of 16.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[3-[4-[4-carbazol-9-yl-2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol is sourced from PubChem (CID 159163151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).