2-[3-tert-butyl-5-[4,5-ditert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-4-(2-phenylpropan-2-yl)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole

C70H84N4O — CID 159582782

About 2-[3-tert-butyl-5-[4,5-ditert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-4-(2-phenylpropan-2-yl)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole

2-[3-tert-butyl-5-[4,5-ditert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-4-(2-phenylpropan-2-yl)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole (PubChem CID 159582782) has the molecular formula C70H84N4O and a molecular weight of 997.47 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-[4,5-ditert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-4-(2-phenylpropan-2-yl)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole.

Molecular Properties

• Compound Name: 2-[3-tert-butyl-5-[4,5-ditert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-4-(2-phenylpropan-2-yl)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
• PubChem CID: 159582782
• Molecular Formula: C70H84N4O
• Molecular Weight: 997.47 g/mol
• Exact Mass: 996.66
• IUPAC Name: 2-[3-tert-butyl-5-[4,5-ditert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-4-(2-phenylpropan-2-yl)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
• SMILES: CC(C)(C)C1=C(C(C)(C)C)N(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)CN1c1cc(Oc2cc(C(C)(C)c3ccccc3)c3c4ccccc4n(-c4cc(C(C)(C)c5ccccc5)ccn4)c3c2)cc(C(C)(C)C)c1
• InChI: InChI=1S/C70H84N4O/c1-64(2,3)49-36-50(65(4,5)6)38-52(37-49)72-45-73(63(68(13,14)15)62(72)67(10,11)12)53-39-51(66(7,8)9)40-54(42-53)75-55-43-57(70(18,19)47-30-24-21-25-31-47)61-56-32-26-27-33-58(56)74(59(61)44-55)60-41-48(34-35-71-60)69(16,17)46-28-22-20-23-29-46/h20-44H,45H2,1-19H3
• InChIKey: NOKWQXJQRAGEPT-UHFFFAOYSA-N
• XLogP: 19.10
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	997.47
LogP ≤ 5	19.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-tert-butyl-5-[4,5-ditert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-4-(2-phenylpropan-2-yl)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole?

The IUPAC name of 2-[3-tert-butyl-5-[4,5-ditert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-4-(2-phenylpropan-2-yl)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole (CID 159582782) is 2-[3-tert-butyl-5-[4,5-ditert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-4-(2-phenylpropan-2-yl)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole.

What is the SMILES notation for 2-[3-tert-butyl-5-[4,5-ditert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-4-(2-phenylpropan-2-yl)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole?

The canonical SMILES for 2-[3-tert-butyl-5-[4,5-ditert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-4-(2-phenylpropan-2-yl)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole is CC(C)(C)C1=C(C(C)(C)C)N(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)CN1c1cc(Oc2cc(C(C)(C)c3ccccc3)c3c4ccccc4n(-c4cc(C(C)(C)c5ccccc5)ccn4)c3c2)cc(C(C)(C)C)c1.

What is the InChIKey of 2-[3-tert-butyl-5-[4,5-ditert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-4-(2-phenylpropan-2-yl)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole?

The InChIKey is NOKWQXJQRAGEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H84N4O/c1-64(2,3)49-36-50(65(4,5)6)38-52(37-49)72-45-73(63(68(13,14)15)62(72)67(10,11)12)53-39-51(66(7,8)9)40-54(42-53)75-55-43-57(70(18,19)47-30-24-21-25-31-47)61-56-32-26-27-33-58(56)74(59(61)44-55)60-41-48(34-35-71-60)69(16,17)46-28-22-20-23-29-46/h20-44H,45H2,1-19H3.

What are the key properties of 2-[3-tert-butyl-5-[4,5-ditert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-4-(2-phenylpropan-2-yl)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole?

2-[3-tert-butyl-5-[4,5-ditert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-4-(2-phenylpropan-2-yl)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole has a molecular weight of 997.47 g/mol, XLogP of 19.10, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-tert-butyl-5-[4,5-ditert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-4-(2-phenylpropan-2-yl)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole is sourced from PubChem (CID 159582782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).