2-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-5-phenyl-2H-imidazol-1-yl]-5-phenylphenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole

C70H68N4O — CID 161079729

About 2-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-5-phenyl-2H-imidazol-1-yl]-5-phenylphenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole

2-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-5-phenyl-2H-imidazol-1-yl]-5-phenylphenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole (PubChem CID 161079729) has the molecular formula C70H68N4O and a molecular weight of 981.34 g/mol. Its IUPAC name is 2-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-5-phenyl-2H-imidazol-1-yl]-5-phenylphenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole.

Molecular Properties

• Compound Name: 2-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-5-phenyl-2H-imidazol-1-yl]-5-phenylphenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole
• PubChem CID: 161079729
• Molecular Formula: C70H68N4O
• Molecular Weight: 981.34 g/mol
• Exact Mass: 980.54
• IUPAC Name: 2-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-5-phenyl-2H-imidazol-1-yl]-5-phenylphenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole
• SMILES: CC(C)(C)c1cc(N2C=C(c3ccccc3)N(c3cc(Oc4ccc5c6cc(C(C)(C)c7ccccc7)ccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)cc(-c4ccccc4)c3)C2)cc(C(C)(C)c2ccccc2)c1
• InChI: InChI=1S/C70H68N4O/c1-67(2,3)53-35-36-71-66(43-53)74-63-34-31-54(69(7,8)51-27-19-13-20-28-51)42-62(63)61-33-32-59(45-64(61)74)75-60-38-50(48-23-15-11-16-24-48)37-58(44-60)73-47-72(46-65(73)49-25-17-12-18-26-49)57-40-55(68(4,5)6)39-56(41-57)70(9,10)52-29-21-14-22-30-52/h11-46H,47H2,1-10H3
• InChIKey: OZTHDPLMAHLPIM-UHFFFAOYSA-N
• XLogP: 18.17
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	981.34
LogP ≤ 5	18.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-5-phenyl-2H-imidazol-1-yl]-5-phenylphenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole?

The IUPAC name of 2-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-5-phenyl-2H-imidazol-1-yl]-5-phenylphenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole (CID 161079729) is 2-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-5-phenyl-2H-imidazol-1-yl]-5-phenylphenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole.

What is the SMILES notation for 2-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-5-phenyl-2H-imidazol-1-yl]-5-phenylphenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole?

The canonical SMILES for 2-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-5-phenyl-2H-imidazol-1-yl]-5-phenylphenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole is CC(C)(C)c1cc(N2C=C(c3ccccc3)N(c3cc(Oc4ccc5c6cc(C(C)(C)c7ccccc7)ccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)cc(-c4ccccc4)c3)C2)cc(C(C)(C)c2ccccc2)c1.

What is the InChIKey of 2-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-5-phenyl-2H-imidazol-1-yl]-5-phenylphenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole?

The InChIKey is OZTHDPLMAHLPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H68N4O/c1-67(2,3)53-35-36-71-66(43-53)74-63-34-31-54(69(7,8)51-27-19-13-20-28-51)42-62(63)61-33-32-59(45-64(61)74)75-60-38-50(48-23-15-11-16-24-48)37-58(44-60)73-47-72(46-65(73)49-25-17-12-18-26-49)57-40-55(68(4,5)6)39-56(41-57)70(9,10)52-29-21-14-22-30-52/h11-46H,47H2,1-10H3.

What are the key properties of 2-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-5-phenyl-2H-imidazol-1-yl]-5-phenylphenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole?

2-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-5-phenyl-2H-imidazol-1-yl]-5-phenylphenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole has a molecular weight of 981.34 g/mol, XLogP of 18.17, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-5-phenyl-2H-imidazol-1-yl]-5-phenylphenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole is sourced from PubChem (CID 161079729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).