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

C71H76N4O — CID 157248559

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

2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-4-(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]-5-tert-butylphenoxy]-4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole (PubChem CID 157248559) has the molecular formula C71H76N4O and a molecular weight of 1001.42 g/mol. Its IUPAC name is 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-4-(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]-5-tert-butylphenoxy]-4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole.

Molecular Properties

• Compound Name: 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-4-(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]-5-tert-butylphenoxy]-4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole
• PubChem CID: 157248559
• Molecular Formula: C71H76N4O
• Molecular Weight: 1001.42 g/mol
• Exact Mass: 1000.60
• IUPAC Name: 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-4-(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]-5-tert-butylphenoxy]-4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole
• SMILES: CC(C)(C)c1cc(Oc2cc(C(C)(C)C)c3c4ccccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(-n2[c-][n+](-c3cc(C(C)(C)c4ccccc4)cc(C(C)(C)c4ccccc4)c3)c(C(C)(C)c3ccccc3)c2)c1
• InChI: InChI=1S/C71H76N4O/c1-66(2,3)51-35-36-72-64(42-51)75-61-34-26-25-33-59(61)65-60(68(7,8)9)44-58(45-62(65)75)76-57-41-52(67(4,5)6)38-55(43-57)73-46-63(71(14,15)50-31-23-18-24-32-50)74(47-73)56-39-53(69(10,11)48-27-19-16-20-28-48)37-54(40-56)70(12,13)49-29-21-17-22-30-49/h16-46H,1-15H3
• InChIKey: OKGGGERGRCCUEQ-UHFFFAOYSA-N
• XLogP: 17.71
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1001.42
LogP ≤ 5	17.71
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]-4-(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]-5-tert-butylphenoxy]-4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole?

The IUPAC name of 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-4-(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]-5-tert-butylphenoxy]-4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole (CID 157248559) is 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-4-(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]-5-tert-butylphenoxy]-4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole.

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

The canonical SMILES for 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-4-(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]-5-tert-butylphenoxy]-4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole is CC(C)(C)c1cc(Oc2cc(C(C)(C)C)c3c4ccccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(-n2[c-][n+](-c3cc(C(C)(C)c4ccccc4)cc(C(C)(C)c4ccccc4)c3)c(C(C)(C)c3ccccc3)c2)c1.

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

The InChIKey is OKGGGERGRCCUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H76N4O/c1-66(2,3)51-35-36-72-64(42-51)75-61-34-26-25-33-59(61)65-60(68(7,8)9)44-58(45-62(65)75)76-57-41-52(67(4,5)6)38-55(43-57)73-46-63(71(14,15)50-31-23-18-24-32-50)74(47-73)56-39-53(69(10,11)48-27-19-16-20-28-48)37-54(40-56)70(12,13)49-29-21-17-22-30-49/h16-46H,1-15H3.

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

2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-4-(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]-5-tert-butylphenoxy]-4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole has a molecular weight of 1001.42 g/mol, XLogP of 17.71, 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]-4-(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]-5-tert-butylphenoxy]-4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole is sourced from PubChem (CID 157248559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).