2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5-tert-butyl-2H-imidazol-3-ium-2-id-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-4-(2-phenylpropan-2-yl)carbazole

C67H68N4O — CID 158107062

About 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5-tert-butyl-2H-imidazol-3-ium-2-id-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-4-(2-phenylpropan-2-yl)carbazole

2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5-tert-butyl-2H-imidazol-3-ium-2-id-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-4-(2-phenylpropan-2-yl)carbazole (PubChem CID 158107062) has the molecular formula C67H68N4O and a molecular weight of 945.31 g/mol. Its IUPAC name is 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5-tert-butyl-2H-imidazol-3-ium-2-id-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-4-(2-phenylpropan-2-yl)carbazole.

Molecular Properties

• Compound Name: 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5-tert-butyl-2H-imidazol-3-ium-2-id-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-4-(2-phenylpropan-2-yl)carbazole
• PubChem CID: 158107062
• Molecular Formula: C67H68N4O
• Molecular Weight: 945.31 g/mol
• Exact Mass: 944.54
• IUPAC Name: 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5-tert-butyl-2H-imidazol-3-ium-2-id-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-4-(2-phenylpropan-2-yl)carbazole
• SMILES: CC(C)(C)c1ccnc(-n2c3ccccc3c3c(C(C)(C)c4ccccc4)cc(Oc4cccc(-n5[c-][n+](-c6cc(C(C)(C)c7ccccc7)cc(C(C)(C)c7ccccc7)c6)cc5C(C)(C)C)c4)cc32)c1
• InChI: InChI=1S/C67H68N4O/c1-63(2,3)49-35-36-68-61(40-49)71-58-34-23-22-33-56(58)62-57(67(11,12)48-29-20-15-21-30-48)42-55(43-59(62)71)72-54-32-24-31-52(41-54)70-45-69(44-60(70)64(4,5)6)53-38-50(65(7,8)46-25-16-13-17-26-46)37-51(39-53)66(9,10)47-27-18-14-19-28-47/h13-44H,1-12H3
• InChIKey: GKZOWWNRSPVLJF-UHFFFAOYSA-N
• XLogP: 16.41
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	945.31
LogP ≤ 5	16.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5-tert-butyl-2H-imidazol-3-ium-2-id-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-4-(2-phenylpropan-2-yl)carbazole (CID 158107062) is 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5-tert-butyl-2H-imidazol-3-ium-2-id-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-4-(2-phenylpropan-2-yl)carbazole.

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

The canonical SMILES for 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5-tert-butyl-2H-imidazol-3-ium-2-id-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-4-(2-phenylpropan-2-yl)carbazole is CC(C)(C)c1ccnc(-n2c3ccccc3c3c(C(C)(C)c4ccccc4)cc(Oc4cccc(-n5[c-][n+](-c6cc(C(C)(C)c7ccccc7)cc(C(C)(C)c7ccccc7)c6)cc5C(C)(C)C)c4)cc32)c1.

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

The InChIKey is GKZOWWNRSPVLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H68N4O/c1-63(2,3)49-35-36-68-61(40-49)71-58-34-23-22-33-56(58)62-57(67(11,12)48-29-20-15-21-30-48)42-55(43-59(62)71)72-54-32-24-31-52(41-54)70-45-69(44-60(70)64(4,5)6)53-38-50(65(7,8)46-25-16-13-17-26-46)37-51(39-53)66(9,10)47-27-18-14-19-28-47/h13-44H,1-12H3.

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

2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5-tert-butyl-2H-imidazol-3-ium-2-id-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-4-(2-phenylpropan-2-yl)carbazole has a molecular weight of 945.31 g/mol, XLogP of 16.41, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5-tert-butyl-2H-imidazol-3-ium-2-id-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-4-(2-phenylpropan-2-yl)carbazole is sourced from PubChem (CID 158107062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).